2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinoline-3-carbonitrile

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinoline-3-carbonitrile Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-5-keto-4-(4-methoxyphenyl)-7,7-dimethyl-6,8-dihydroquinoline-3-carbonitrile Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C(=C(C(=N2)SCC(=O)N3CCCCCC3)C#N)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C(=C(C(=N2)SCC(=O)N3CCCCCC3)C#N)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C27H31N3O3S/c1-27(2)14-21-25(22(31)15-27)24(18-8-10-19(33-3)11-9-18)20(16-28)26(29-21)34-17-23(32)30-12-6-4-5-7-13-30/h8-11H,4-7,12-15,17H2,1-3H3