(4S)-4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (4S)-4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4S)-4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4S)-4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4S)-4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4S)-4-(4-ethylphenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C21H24N2O MolecularWeight: 320.42806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(C(=NC3=C2C(=O)CC(C3)(C)C)C)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H]2C(C(=NC3=C2C(=O)CC(C3)(C)C)C)C#N

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/h6-9,16,19H,5,10-11H2,1-4H3/t16?,19-/m1/s1