2-azanyl-4-(4-bromanyl-5-ethyl-thiophen-2-yl)-1-(4-methoxyphenyl)-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-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-5-ethyl-2-thienyl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-5-ethyl-2-thiophenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromo-5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-5-ethyl-2-thienyl)-5-keto-1-(4-methoxyphenyl)-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C25H26BrN3O2S MolecularWeight: 512.46184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26BrN3O2S/c1-5-20-17(26)10-21(32-20)22-16(13-27)24(28)29(14-6-8-15(31-4)9-7-14)18-11-25(2,3)12-19(30)23(18)22/h6-10,22H,5,11-12,28H2,1-4H3