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

Systemtic Name: 3-(aminomethyl)-4-(4-chlorophenyl)-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-6-carbonitrile hydrochloride Openeye Name: 3-(aminomethyl)-4-(4-chlorophenyl)-2-isobutyl-1-oxo-isoquinoline-6-carbonitrile hydrochloride CAS Name: 3-(aminomethyl)-4-(4-chlorophenyl)-2-(2-methylpropyl)-1-oxo-6-isoquinolinecarbonitrile hydrochloride IUPAC Name: 3-(aminomethyl)-4-(4-chlorophenyl)-2-(2-methylpropyl)-1-oxoisoquinoline-6-carbonitrile hydrochloride Traditional Name: 3-(aminomethyl)-4-(4-chlorophenyl)-2-isobutyl-1-keto-isoquinoline-6-carbonitrile hydrochloride Formula: C21H21Cl2N3O MolecularWeight: 402.31694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C#N)C3=CC=C(C=C3)Cl)CN.Cl

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C#N)C3=CC=C(C=C3)Cl)CN.Cl

InChI

InChI=1S/C21H20ClN3O.ClH/c1-13(2)12-25-19(11-24)20(15-4-6-16(22)7-5-15)18-9-14(10-23)3-8-17(18)21(25)26;/h3-9,13H,11-12,24H2,1-2H3;1H