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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

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