(4S)-2,7,7-trimethyl-4-(3-nitro-4-piperidin-1-yl-phenyl)-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (4S)-2,7,7-trimethyl-4-(3-nitro-4-piperidin-1-yl-phenyl)-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4S)-2,7,7-trimethyl-4-[3-nitro-4-(1-piperidyl)phenyl]-5-oxo-3,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4S)-2,7,7-trimethyl-4-[3-nitro-4-(1-piperidinyl)phenyl]-5-oxo-3,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4S)-2,7,7-trimethyl-4-(3-nitro-4-piperidin-1-ylphenyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(3-nitro-4-piperidino-phenyl)-3,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C#N)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C#N)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C(=O)CC(C2)(C)C

InChI

InChI=1S/C24H28N4O3/c1-15-17(14-25)22(23-18(26-15)12-24(2,3)13-21(23)29)16-7-8-19(20(11-16)28(30)31)27-9-5-4-6-10-27/h7-8,11,17,22H,4-6,9-10,12-13H2,1-3H3/t17?,22-/m1/s1