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

Systemtic Name: 3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinoline-6-carbonitrile Openeye Name: 3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-isoquinoline-6-carbonitrile CAS Name: 3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinecarbonitrile IUPAC Name: 3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinoline-6-carbonitrile Traditional Name: 3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-isoquinoline-6-carbonitrile Formula: C21H21N3O MolecularWeight: 331.41094

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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=CC=C3)CN

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O/c1-14(2)13-24-19(12-23)20(16-6-4-3-5-7-16)18-10-15(11-22)8-9-17(18)21(24)25/h3-10,14H,12-13,23H2,1-2H3