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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(4-methoxyphenyl)-5-phenyl-3-pyrazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]methanone Traditional Name: [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl]-(4-piperonylpiperazino)methanone Formula: C29H28N4O4 MolecularWeight: 496.55702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H28N4O4/c1-35-24-10-8-23(9-11-24)33-26(18-25(30-33)22-5-3-2-4-6-22)29(34)32-15-13-31(14-16-32)19-21-7-12-27-28(17-21)37-20-36-27/h2-12,17-18H,13-16,19-20H2,1H3