2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-6-[(phenylmethyl)amino]isoquinoline-3-carbonitrile

Systemtic Name: 2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-6-[(phenylmethyl)amino]isoquinoline-3-carbonitrile Openeye Name: 6-(benzylamino)-2-isobutyl-1-oxo-4-phenyl-isoquinoline-3-carbonitrile CAS Name: 2-(2-methylpropyl)-1-oxo-4-phenyl-6-[(phenylmethyl)amino]-3-isoquinolinecarbonitrile IUPAC Name: 6-(benzylamino)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinoline-3-carbonitrile Traditional Name: 6-(benzylamino)-2-isobutyl-1-keto-4-phenyl-isoquinoline-3-carbonitrile Formula: C27H25N3O MolecularWeight: 407.5069

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)NCC3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)NCC3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C27H25N3O/c1-19(2)18-30-25(16-28)26(21-11-7-4-8-12-21)24-15-22(13-14-23(24)27(30)31)29-17-20-9-5-3-6-10-20/h3-15,19,29H,17-18H2,1-2H3