2-azanyl-1-(3-bromophenyl)-4-(5-butylthiophen-2-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(3-bromophenyl)-4-(5-butylthiophen-2-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(3-bromophenyl)-4-(5-butyl-2-thienyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(3-bromophenyl)-4-(5-butyl-2-thiophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(3-bromophenyl)-4-(5-butylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(3-bromophenyl)-4-(5-butyl-2-thienyl)-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:

CCCCC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=CC=C4)Br)N)C#N

Isomeric SMILES

CCCCC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=CC=C4)Br)N)C#N

InChI

InChI=1S/C26H28BrN3OS/c1-4-5-9-18-10-11-22(32-18)23-19(15-28)25(29)30(17-8-6-7-16(27)12-17)20-13-26(2,3)14-21(31)24(20)23/h6-8,10-12,23H,4-5,9,13-14,29H2,1-3H3