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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(2,4-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(2,4-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(2,4-dimethylphenyl)-5-(4-fluorophenyl)-3-pyrazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(2,4-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanone Traditional Name: [2-(2,4-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]-(4-piperonylpiperazino)methanone Formula: C30H29FN4O3 MolecularWeight: 512.574663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H29FN4O3/c1-20-3-9-26(21(2)15-20)35-27(17-25(32-35)23-5-7-24(31)8-6-23)30(36)34-13-11-33(12-14-34)18-22-4-10-28-29(16-22)38-19-37-28/h3-10,15-17H,11-14,18-19H2,1-2H3