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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(2-chlorophenyl)-5-(4-methoxyphenyl)-3-pyrazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanone Traditional Name: [2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]-(4-piperonylpiperazino)methanone Formula: C29H27ClN4O4 MolecularWeight: 531.00208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6Cl

InChI

InChI=1S/C29H27ClN4O4/c1-36-22-9-7-21(8-10-22)24-17-26(34(31-24)25-5-3-2-4-23(25)30)29(35)33-14-12-32(13-15-33)18-20-6-11-27-28(16-20)38-19-37-27/h2-11,16-17H,12-15,18-19H2,1H3