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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanone Traditional Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-(4-piperonylpiperazino)methanone Formula: C23H23ClN4O3 MolecularWeight: 438.90672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C23H23ClN4O3/c1-16-21(22(24)28(25-16)18-5-3-2-4-6-18)23(29)27-11-9-26(10-12-27)14-17-7-8-19-20(13-17)31-15-30-19/h2-8,13H,9-12,14-15H2,1H3