Free Chemical Databases
-
[Synonyms]
NSC624661
NCI60_007479
[Structure]
[ Properties Computed from Structure]
Molecular Weight 373.48738 [g/mol] Molecular Formula C25H27NO2 XLogP 4.6 H-Bond Donor 0 H-Bond Acceptor 3 Rotatable Bond Count 5 Exact Mass 373.204179 MonoIsotopic Mass 373.204179 Topological Polar Surface Area 21.7 Heavy Atom Count 28 Formal Charge 0 Complexity 453 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 1-[di(phenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Canonical SMILES: CN1CCC2=CC(=C(C=C2C1C(C3=CC=CC=C3)C4=CC=CC=C4)OC)OC
InChI: InChI=1/C25H27NO2/c1-26-15-14-20-16-22(27-2)23(28-3)17-21(20)25(26)24
(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,24-25H,14-15H2,1-3H3
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