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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(2-chlorophenyl)-5-(3,4-dimethylphenyl)pyrazol-3-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(2-chlorophenyl)-5-(3,4-dimethylphenyl)pyrazol-3-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3-pyrazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(2-chlorophenyl)-5-(3,4-dimethylphenyl)pyrazol-3-yl]methanone Traditional Name: [2-(2-chlorophenyl)-5-(3,4-dimethylphenyl)pyrazol-3-yl]-(4-piperonylpiperazino)methanone Formula: C30H29ClN4O3 MolecularWeight: 529.02926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6Cl)C

InChI

InChI=1S/C30H29ClN4O3/c1-20-7-9-23(15-21(20)2)25-17-27(35(32-25)26-6-4-3-5-24(26)31)30(36)34-13-11-33(12-14-34)18-22-8-10-28-29(16-22)38-19-37-28/h3-10,15-17H,11-14,18-19H2,1-2H3