N-[4-[4-[2-(2-methylphenyl)ethanoyl]piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[4-[2-(2-methylphenyl)ethanoyl]piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[4-[2-(o-tolyl)acetyl]piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[4-[2-(2-methylphenyl)-1-oxoethyl]-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[4-[2-(o-tolyl)acetyl]piperazino]phenyl]-piperonylamide Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H27N3O4/c1-19-4-2-3-5-20(19)17-26(31)30-14-12-29(13-15-30)23-9-7-22(8-10-23)28-27(32)21-6-11-24-25(16-21)34-18-33-24/h2-11,16H,12-15,17-18H2,1H3,(H,28,32)