3-(aminomethyl)-2-(2-methylpropyl)-4-phenyl-7-phenylmethoxy-isoquinolin-1-one hydrochloride

Systemtic Name: 3-(aminomethyl)-2-(2-methylpropyl)-4-phenyl-7-phenylmethoxy-isoquinolin-1-one hydrochloride Openeye Name: 3-(aminomethyl)-7-benzyloxy-2-isobutyl-4-phenyl-isoquinolin-1-one hydrochloride CAS Name: 3-(aminomethyl)-2-(2-methylpropyl)-4-phenyl-7-phenylmethoxy-1-isoquinolinone hydrochloride IUPAC Name: 3-(aminomethyl)-2-(2-methylpropyl)-4-phenyl-7-phenylmethoxyisoquinolin-1-one hydrochloride Traditional Name: 3-(aminomethyl)-7-benzoxy-2-isobutyl-4-phenyl-isocarbostyril hydrochloride Formula: C27H29ClN2O2 MolecularWeight: 448.98436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O2.ClH/c1-19(2)17-29-25(16-28)26(21-11-7-4-8-12-21)23-14-13-22(15-24(23)27(29)30)31-18-20-9-5-3-6-10-20;/h3-15,19H,16-18,28H2,1-2H3;1H