(4S)-1-(4-methyl-2-nitro-phenyl)-5-oxidanylidene-4-pyridin-3-yl-2-pyrrol-1-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (4S)-1-(4-methyl-2-nitro-phenyl)-5-oxidanylidene-4-pyridin-3-yl-2-pyrrol-1-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4S)-1-(4-methyl-2-nitro-phenyl)-5-oxo-4-(3-pyridyl)-2-pyrrol-1-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4S)-1-(4-methyl-2-nitrophenyl)-5-oxo-4-(3-pyridinyl)-2-(1-pyrrolyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4S)-1-(4-methyl-2-nitrophenyl)-5-oxo-4-pyridin-3-yl-2-pyrrol-1-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4S)-5-keto-1-(4-methyl-2-nitro-phenyl)-4-(3-pyridyl)-2-pyrrol-1-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C26H21N5O3 MolecularWeight: 451.47664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C3=C(C(C(=C2N4C=CC=C4)C#N)C5=CN=CC=C5)C(=O)CCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)N2C3=C([C@H](C(=C2N4C=CC=C4)C#N)C5=CN=CC=C5)C(=O)CCC3)[N+](=O)[O-]

InChI

InChI=1S/C26H21N5O3/c1-17-9-10-20(22(14-17)31(33)34)30-21-7-4-8-23(32)25(21)24(18-6-5-11-28-16-18)19(15-27)26(30)29-12-2-3-13-29/h2-3,5-6,9-14,16,24H,4,7-8H2,1H3/t24-/m0/s1