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

Systemtic Name: N-[6-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[6-[4-[(3-fluorophenyl)-oxomethyl]-1-piperazinyl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[6-[4-(3-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=C5)F

Isomeric SMILES

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

InChI

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