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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(3-methylphenyl)-5-phenyl-pyrazol-3-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(m-tolyl)-5-phenyl-pyrazol-3-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(3-methylphenyl)-5-phenyl-3-pyrazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(3-methylphenyl)-5-phenylpyrazol-3-yl]methanone Traditional Name: [2-(m-tolyl)-5-phenyl-pyrazol-3-yl]-(4-piperonylpiperazino)methanone Formula: C29H28N4O3 MolecularWeight: 480.55762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H28N4O3/c1-21-6-5-9-24(16-21)33-26(18-25(30-33)23-7-3-2-4-8-23)29(34)32-14-12-31(13-15-32)19-22-10-11-27-28(17-22)36-20-35-27/h2-11,16-18H,12-15,19-20H2,1H3