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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7,7-dimethyl-5-oxidanylidene-4-phenyl-6,8-dihydroquinoline-3-carbonitrile Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carbonitrile CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carbonitrile IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carbonitrile Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-5-keto-7,7-dimethyl-4-phenyl-6,8-dihydroquinoline-3-carbonitrile Formula: C26H29N3O2S MolecularWeight: 447.59236

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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=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O2S/c1-26(2)14-20-24(21(30)15-26)23(18-10-6-5-7-11-18)19(16-27)25(28-20)32-17-22(31)29-12-8-3-4-9-13-29/h5-7,10-11H,3-4,8-9,12-15,17H2,1-2H3