3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)isoquinolin-1-one

Systemtic Name: 3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)isoquinolin-1-one Openeye Name: 3-(aminomethyl)-2-isobutyl-4-(p-tolyl)isoquinolin-1-one CAS Name: 3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)-1-isoquinolinone IUPAC Name: 3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)isoquinolin-1-one Traditional Name: 3-(aminomethyl)-2-isobutyl-4-(p-tolyl)isocarbostyril Formula: C21H24N2O MolecularWeight: 320.42806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)CC(C)C)CN

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)CC(C)C)CN

InChI

InChI=1S/C21H24N2O/c1-14(2)13-23-19(12-22)20(16-10-8-15(3)9-11-16)17-6-4-5-7-18(17)21(23)24/h4-11,14H,12-13,22H2,1-3H3