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

Systemtic Name: N-[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-chloro-4-(4-o-toluoylpiperazino)phenyl]-piperonylamide Formula: C26H24ClN3O4 MolecularWeight: 477.93946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24ClN3O4/c1-17-4-2-3-5-20(17)26(32)30-12-10-29(11-13-30)22-8-7-19(15-21(22)27)28-25(31)18-6-9-23-24(14-18)34-16-33-23/h2-9,14-15H,10-13,16H2,1H3,(H,28,31)