[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-thiophen-3-ylquinolin-4-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-thiophen-3-ylquinolin-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(3-thienyl)-4-quinolyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(3-thiophenyl)-4-quinolinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-thiophen-3-ylquinolin-4-yl)methanone Traditional Name: (4-piperonylpiperazino)-[2-(3-thienyl)-4-quinolyl]methanone Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CSC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CSC=C6

InChI

InChI=1S/C26H23N3O3S/c30-26(21-14-23(19-7-12-33-16-19)27-22-4-2-1-3-20(21)22)29-10-8-28(9-11-29)15-18-5-6-24-25(13-18)32-17-31-24/h1-7,12-14,16H,8-11,15,17H2