2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-thiophen-2-ylquinolin-4-yl)carbonylpiperazin-1-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-thiophen-2-ylquinolin-4-yl)carbonylpiperazin-1-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[2-(2-thienyl)quinoline-4-carbonyl]piperazin-1-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]-1-piperazinyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[2-(2-thienyl)quinoline-4-carbonyl]piperazino]methanone Formula: C27H23N3O4S MolecularWeight: 485.55422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CS6

Isomeric SMILES

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CS6

InChI

InChI=1S/C27H23N3O4S/c31-26(19-16-21(25-10-5-15-35-25)28-20-7-2-1-6-18(19)20)29-11-13-30(14-12-29)27(32)24-17-33-22-8-3-4-9-23(22)34-24/h1-10,15-16,24H,11-14,17H2