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

Systemtic Name: 3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-6-carbonitrile hydrochloride Openeye Name: 3-(aminomethyl)-2-isobutyl-1-oxo-4-(p-tolyl)isoquinoline-6-carbonitrile hydrochloride CAS Name: 3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxo-6-isoquinolinecarbonitrile hydrochloride IUPAC Name: 3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxoisoquinoline-6-carbonitrile hydrochloride Traditional Name: 3-(aminomethyl)-2-isobutyl-1-keto-4-(p-tolyl)isoquinoline-6-carbonitrile hydrochloride Formula: C22H24ClN3O MolecularWeight: 381.89846

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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#N)CC(C)C)CN.Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O.ClH/c1-14(2)13-25-20(12-24)21(17-7-4-15(3)5-8-17)19-10-16(11-23)6-9-18(19)22(25)26;/h4-10,14H,12-13,24H2,1-3H3;1H