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

Systemtic Name: N-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(4-o-toluoylpiperazino)phenyl]-piperonylamide Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H25N3O4/c1-18-4-2-3-5-22(18)26(31)29-14-12-28(13-15-29)21-9-7-20(8-10-21)27-25(30)19-6-11-23-24(16-19)33-17-32-23/h2-11,16H,12-15,17H2,1H3,(H,27,30)