[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-thiophen-3-ylquinolin-4-yl)methanone

Systemtic Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-thiophen-3-ylquinolin-4-yl)methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-1-yl]-[2-(3-thienyl)-4-quinolyl]methanone CAS Name: [4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-[2-(3-thiophenyl)-4-quinolinyl]methanone IUPAC Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-thiophen-3-ylquinolin-4-yl)methanone Traditional Name: [4-[(E)-cinnamyl]piperazino]-[2-(3-thienyl)-4-quinolyl]methanone Formula: C27H25N3OS MolecularWeight: 439.5719

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CSC=C5

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CSC=C5

InChI

InChI=1S/C27H25N3OS/c31-27(30-16-14-29(15-17-30)13-6-9-21-7-2-1-3-8-21)24-19-26(22-12-18-32-20-22)28-25-11-5-4-10-23(24)25/h1-12,18-20H,13-17H2/b9-6+