2-azanyl-4-(4-bromanyl-5-ethyl-thiophen-2-yl)-1-(2-ethylphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(4-bromanyl-5-ethyl-thiophen-2-yl)-1-(2-ethylphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-5-ethyl-2-thienyl)-1-(2-ethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-5-ethyl-2-thiophenyl)-1-(2-ethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromo-5-ethylthiophen-2-yl)-1-(2-ethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-5-ethyl-2-thienyl)-1-(2-ethylphenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C26H28BrN3OS MolecularWeight: 510.48902

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C3=C(C(C(=C2N)C#N)C4=CC(=C(S4)CC)Br)C(=O)CC(C3)(C)C

Isomeric SMILES

CCC1=CC=CC=C1N2C3=C(C(C(=C2N)C#N)C4=CC(=C(S4)CC)Br)C(=O)CC(C3)(C)C

InChI

InChI=1S/C26H28BrN3OS/c1-5-15-9-7-8-10-18(15)30-19-12-26(3,4)13-20(31)24(19)23(16(14-28)25(30)29)22-11-17(27)21(6-2)32-22/h7-11,23H,5-6,12-13,29H2,1-4H3