[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(4-methylphenyl)phenyl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(4-methylphenyl)phenyl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(p-tolyl)phenyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(4-methylphenyl)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(4-methylphenyl)phenyl]methanone Traditional Name: (4-piperonylpiperazino)-[2-(p-tolyl)phenyl]methanone Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H26N2O3/c1-19-6-9-21(10-7-19)22-4-2-3-5-23(22)26(29)28-14-12-27(13-15-28)17-20-8-11-24-25(16-20)31-18-30-24/h2-11,16H,12-15,17-18H2,1H3