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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(3-pyridyl)-4-quinolyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(3-pyridinyl)-4-quinolinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone Traditional Name: (4-piperonylpiperazino)-[2-(3-pyridyl)-4-quinolyl]methanone Formula: C27H24N4O3 MolecularWeight: 452.50446

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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=CN=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C27H24N4O3/c32-27(22-15-24(20-4-3-9-28-16-20)29-23-6-2-1-5-21(22)23)31-12-10-30(11-13-31)17-19-7-8-25-26(14-19)34-18-33-25/h1-9,14-16H,10-13,17-18H2