N-[6-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[6-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-pyridyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[6-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[6-[4-(2-fluorobenzoyl)piperazino]-3-pyridyl]-piperonylamide Formula: C24H21FN4O4 MolecularWeight: 448.446343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CC=C5F

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CC=C5F

InChI

InChI=1S/C24H21FN4O4/c25-19-4-2-1-3-18(19)24(31)29-11-9-28(10-12-29)22-8-6-17(14-26-22)27-23(30)16-5-7-20-21(13-16)33-15-32-20/h1-8,13-14H,9-12,15H2,(H,27,30)