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

Systemtic Name: N-[6-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[6-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-pyridyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[6-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[6-[4-(4-chlorobenzoyl)piperazin-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[6-[4-(4-chlorobenzoyl)piperazino]-3-pyridyl]-piperonylamide Formula: C24H21ClN4O4 MolecularWeight: 464.90094

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H21ClN4O4/c25-18-4-1-16(2-5-18)24(31)29-11-9-28(10-12-29)22-8-6-19(14-26-22)27-23(30)17-3-7-20-21(13-17)33-15-32-20/h1-8,13-14H,9-12,15H2,(H,27,30)