3-(aminomethyl)-4-(4-chlorophenyl)-2-(2-methylpropyl)-6-phenylmethoxy-isoquinolin-1-one hydrochloride

Systemtic Name: 3-(aminomethyl)-4-(4-chlorophenyl)-2-(2-methylpropyl)-6-phenylmethoxy-isoquinolin-1-one hydrochloride Openeye Name: 3-(aminomethyl)-6-benzyloxy-4-(4-chlorophenyl)-2-isobutyl-isoquinolin-1-one hydrochloride CAS Name: 3-(aminomethyl)-4-(4-chlorophenyl)-2-(2-methylpropyl)-6-phenylmethoxy-1-isoquinolinone hydrochloride IUPAC Name: 3-(aminomethyl)-4-(4-chlorophenyl)-2-(2-methylpropyl)-6-phenylmethoxyisoquinolin-1-one hydrochloride Traditional Name: 3-(aminomethyl)-6-benzoxy-4-(4-chlorophenyl)-2-isobutyl-isocarbostyril hydrochloride Formula: C27H28Cl2N2O2 MolecularWeight: 483.42942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)CN.Cl

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)CN.Cl

InChI

InChI=1S/C27H27ClN2O2.ClH/c1-18(2)16-30-25(15-29)26(20-8-10-21(28)11-9-20)24-14-22(12-13-23(24)27(30)31)32-17-19-6-4-3-5-7-19;/h3-14,18H,15-17,29H2,1-2H3;1H