N-(2-cyanophenyl)-4-(8-thiophen-3-ylquinolin-2-yl)piperazine-1-carboxamide

Systemtic Name: N-(2-cyanophenyl)-4-(8-thiophen-3-ylquinolin-2-yl)piperazine-1-carboxamide Openeye Name: N-(2-cyanophenyl)-4-[8-(3-thienyl)-2-quinolyl]piperazine-1-carboxamide CAS Name: N-(2-cyanophenyl)-4-[8-(3-thiophenyl)-2-quinolinyl]-1-piperazinecarboxamide IUPAC Name: N-(2-cyanophenyl)-4-(8-thiophen-3-ylquinolin-2-yl)piperazine-1-carboxamide Traditional Name: N-(2-cyanophenyl)-4-[8-(3-thienyl)-2-quinolyl]piperazine-1-carboxamide Formula: C25H21N5OS MolecularWeight: 439.53214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C=CC=C3C4=CSC=C4)C=C2)C(=O)NC5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C=CC=C3C4=CSC=C4)C=C2)C(=O)NC5=CC=CC=C5C#N

InChI

InChI=1S/C25H21N5OS/c26-16-19-4-1-2-7-22(19)27-25(31)30-13-11-29(12-14-30)23-9-8-18-5-3-6-21(24(18)28-23)20-10-15-32-17-20/h1-10,15,17H,11-14H2,(H,27,31)