3-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[8-(3-thienyl)-2-quinolyl]piperazine-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[4-[8-(3-thiophenyl)-2-quinolinyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[4-(8-thiophen-3-ylquinolin-2-yl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-[8-(3-thienyl)-2-quinolyl]piperazine-1-carbonyl]benzonitrile Formula: C25H20N4OS MolecularWeight: 424.5175

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C=CC=C3C4=CSC=C4)C=C2)C(=O)C5=CC=CC(=C5)C#N

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C=CC=C3C4=CSC=C4)C=C2)C(=O)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C25H20N4OS/c26-16-18-3-1-5-20(15-18)25(30)29-12-10-28(11-13-29)23-8-7-19-4-2-6-22(24(19)27-23)21-9-14-31-17-21/h1-9,14-15,17H,10-13H2