2-azanyl-4-(5-tert-butylthiophen-2-yl)-1-(2-methyl-5-nitro-phenyl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(5-tert-butylthiophen-2-yl)-1-(2-methyl-5-nitro-phenyl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(5-tert-butyl-2-thienyl)-1-(2-methyl-5-nitro-phenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(5-tert-butyl-2-thiophenyl)-1-(2-methyl-5-nitrophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(5-tert-butylthiophen-2-yl)-1-(2-methyl-5-nitrophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(5-tert-butyl-2-thienyl)-5-keto-1-(2-methyl-5-nitro-phenyl)-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C31H30N4O3S MolecularWeight: 538.6599

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C3=C(C(C(=C2N)C#N)C4=CC=C(S4)C(C)(C)C)C(=O)CC(C3)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C3=C(C(C(=C2N)C#N)C4=CC=C(S4)C(C)(C)C)C(=O)CC(C3)C5=CC=CC=C5

InChI

InChI=1S/C31H30N4O3S/c1-18-10-11-21(35(37)38)16-23(18)34-24-14-20(19-8-6-5-7-9-19)15-25(36)29(24)28(22(17-32)30(34)33)26-12-13-27(39-26)31(2,3)4/h5-13,16,20,28H,14-15,33H2,1-4H3