1-(2-cyclohexylethyl)-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinoline-3-carbonitrile

Systemtic Name: 1-(2-cyclohexylethyl)-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinoline-3-carbonitrile Openeye Name: 1-(2-cyclohexylethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile CAS Name: 1-(2-cyclohexylethyl)-2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-quinolinecarbonitrile IUPAC Name: 1-(2-cyclohexylethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile Traditional Name: 1-(2-cyclohexylethyl)-2-keto-4-[4-(2-thenoyl)piperazino]quinoline-3-carbonitrile Formula: C27H30N4O2S MolecularWeight: 474.6177

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCN2C3=CC=CC=C3C(=C(C2=O)C#N)N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CCC(CC1)CCN2C3=CC=CC=C3C(=C(C2=O)C#N)N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C27H30N4O2S/c28-19-22-25(29-14-16-30(17-15-29)27(33)24-11-6-18-34-24)21-9-4-5-10-23(21)31(26(22)32)13-12-20-7-2-1-3-8-20/h4-6,9-11,18,20H,1-3,7-8,12-17H2