2,7,7-trimethyl-5-oxidanylidene-4-(phenylmethyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2,7,7-trimethyl-5-oxidanylidene-4-(phenylmethyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-benzyl-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2,7,7-trimethyl-5-oxo-4-(phenylmethyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 4-benzyl-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-benzyl-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C20H22N2O MolecularWeight: 306.40148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)CC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H22N2O/c1-13-16(12-21)15(9-14-7-5-4-6-8-14)19-17(22-13)10-20(2,3)11-18(19)23/h4-8,15,22H,9-11H2,1-3H3