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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(2-thienyl)-4-quinolyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2-thiophen-2-yl-4-quinolinyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone Traditional Name: (4-piperonylpiperazino)-[2-(2-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=CC=CS6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CS6

InChI

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