2-azanyl-4-(4-bromanyl-5-ethyl-thiophen-2-yl)-1-(3-chloranyl-2-methyl-phenyl)-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-(3-chloranyl-2-methyl-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-5-ethyl-2-thienyl)-1-(3-chloro-2-methyl-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-5-ethyl-2-thiophenyl)-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromo-5-ethylthiophen-2-yl)-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-5-ethyl-2-thienyl)-1-(3-chloro-2-methyl-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C25H25BrClN3OS MolecularWeight: 530.9075

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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=C(C(=CC=C4)Cl)C)N)C#N)Br

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrClN3OS/c1-5-20-15(26)9-21(32-20)22-14(12-28)24(29)30(17-8-6-7-16(27)13(17)2)18-10-25(3,4)11-19(31)23(18)22/h6-9,22H,5,10-11,29H2,1-4H3