3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-6-carboxamide hydrochloride

Systemtic Name: 3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-6-carboxamide hydrochloride Openeye Name: 3-(aminomethyl)-2-isobutyl-1-oxo-4-(p-tolyl)isoquinoline-6-carboxamide hydrochloride CAS Name: 3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxo-6-isoquinolinecarboxamide hydrochloride IUPAC Name: 3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxoisoquinoline-6-carboxamide hydrochloride Traditional Name: 3-(aminomethyl)-2-isobutyl-1-keto-4-(p-tolyl)isoquinoline-6-carboxamide hydrochloride Formula: C22H26ClN3O2 MolecularWeight: 399.91374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)C(=O)N)CC(C)C)CN.Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)C(=O)N)CC(C)C)CN.Cl

InChI

InChI=1S/C22H25N3O2.ClH/c1-13(2)12-25-19(11-23)20(15-6-4-14(3)5-7-15)18-10-16(21(24)26)8-9-17(18)22(25)27;/h4-10,13H,11-12,23H2,1-3H3,(H2,24,26);1H