N-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-methyl-phenyl]benzamide

Systemtic Name: N-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-methyl-phenyl]benzamide Openeye Name: N-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-methyl-phenyl]benzamide CAS Name: N-[5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2-methylphenyl]benzamide IUPAC Name: N-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-methylphenyl]benzamide Traditional Name: N-[2-methyl-5-(4-piperonylpiperazine-1-carbonyl)phenyl]benzamide Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)NC(=O)C5=CC=CC=C5

InChI

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