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

Systemtic Name: 3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-6-carbonitrile Openeye Name: 3-(aminomethyl)-2-isobutyl-1-oxo-4-(p-tolyl)isoquinoline-6-carbonitrile CAS Name: 3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxo-6-isoquinolinecarbonitrile IUPAC Name: 3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxoisoquinoline-6-carbonitrile Traditional Name: 3-(aminomethyl)-2-isobutyl-1-keto-4-(p-tolyl)isoquinoline-6-carbonitrile Formula: C22H23N3O MolecularWeight: 345.43752

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O/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