1-[(4-cyanophenyl)methyl]-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinoline-3-carbonitrile

Systemtic Name: 1-[(4-cyanophenyl)methyl]-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinoline-3-carbonitrile Openeye Name: 1-[(4-cyanophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile CAS Name: 1-[(4-cyanophenyl)methyl]-2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-quinolinecarbonitrile IUPAC Name: 1-[(4-cyanophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile Traditional Name: 1-(4-cyanobenzyl)-2-keto-4-[4-(2-thenoyl)piperazino]quinoline-3-carbonitrile Formula: C27H21N5O2S MolecularWeight: 479.55294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(C3=CC=CC=C32)CC4=CC=C(C=C4)C#N)C#N)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(C3=CC=CC=C32)CC4=CC=C(C=C4)C#N)C#N)C(=O)C5=CC=CS5

InChI

InChI=1S/C27H21N5O2S/c28-16-19-7-9-20(10-8-19)18-32-23-5-2-1-4-21(23)25(22(17-29)26(32)33)30-11-13-31(14-12-30)27(34)24-6-3-15-35-24/h1-10,15H,11-14,18H2