2-azanyl-1-(4-bromanyl-2-methyl-phenyl)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(4-bromanyl-2-methyl-phenyl)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(4-bromo-2-methyl-phenyl)-4-(5-ethyl-2-thienyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(4-bromo-2-methylphenyl)-4-(5-ethyl-2-thiophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(4-bromo-2-methylphenyl)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(4-bromo-2-methyl-phenyl)-4-(5-ethyl-2-thienyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C25H26BrN3OS MolecularWeight: 496.46244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C=C(C=C4)Br)C)N)C#N

Isomeric SMILES

CCC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C=C(C=C4)Br)C)N)C#N

InChI

InChI=1S/C25H26BrN3OS/c1-5-16-7-9-21(31-16)22-17(13-27)24(28)29(18-8-6-15(26)10-14(18)2)19-11-25(3,4)12-20(30)23(19)22/h6-10,22H,5,11-12,28H2,1-4H3