4-(1,3-benzodioxol-5-ylcarbonyl)-N-[(2-chlorophenyl)methyl]piperazine-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylcarbonyl)-N-[(2-chlorophenyl)methyl]piperazine-1-carboxamide Openeye Name: 4-(1,3-benzodioxole-5-carbonyl)-N-[(2-chlorophenyl)methyl]piperazine-1-carboxamide CAS Name: 4-[1,3-benzodioxol-5-yl(oxo)methyl]-N-[(2-chlorophenyl)methyl]-1-piperazinecarboxamide IUPAC Name: 4-(1,3-benzodioxole-5-carbonyl)-N-[(2-chlorophenyl)methyl]piperazine-1-carboxamide Traditional Name: N-(2-chlorobenzyl)-4-piperonyloyl-piperazine-1-carboxamide Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)NCC4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)NCC4=CC=CC=C4Cl

InChI

InChI=1S/C20H20ClN3O4/c21-16-4-2-1-3-15(16)12-22-20(26)24-9-7-23(8-10-24)19(25)14-5-6-17-18(11-14)28-13-27-17/h1-6,11H,7-10,12-13H2,(H,22,26)