4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carbonitrile CAS Name: 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carbonitrile IUPAC Name: 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(4-ethylphenyl)-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinoline-3-carbonitrile Formula: C21H24N2O MolecularWeight: 320.42806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C3C(=O)CC(C=C3NC(=C2C#N)C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2C3C(=O)CC(C=C3NC(=C2C#N)C)(C)C

InChI

InChI=1S/C21H24N2O/c1-5-14-6-8-15(9-7-14)19-16(12-22)13(2)23-17-10-21(3,4)11-18(24)20(17)19/h6-10,19-20,23H,5,11H2,1-4H3