4-chloranyl-2-(4-chlorophenyl)-1-ethyl-5-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]pyrazol-3-one

Systemtic Name: 4-chloranyl-2-(4-chlorophenyl)-1-ethyl-5-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]pyrazol-3-one Openeye Name: 4-chloro-2-(4-chlorophenyl)-1-ethyl-5-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]pyrazol-3-one CAS Name: 4-chloro-2-(4-chlorophenyl)-1-ethyl-5-[[4-(3-phenylpropyl)-1-piperazinyl]methyl]-3-pyrazolone IUPAC Name: 4-chloro-2-(4-chlorophenyl)-1-ethyl-5-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]pyrazol-3-one Traditional Name: 4-chloro-2-(4-chlorophenyl)-1-ethyl-5-[[4-(3-phenylpropyl)piperazino]methyl]-3-pyrazolin-3-one Formula: C25H30Cl2N4O MolecularWeight: 473.4379

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)N1C2=CC=C(C=C2)Cl)Cl)CN3CCN(CC3)CCCC4=CC=CC=C4

Isomeric SMILES

CCN1C(=C(C(=O)N1C2=CC=C(C=C2)Cl)Cl)CN3CCN(CC3)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H30Cl2N4O/c1-2-30-23(24(27)25(32)31(30)22-12-10-21(26)11-13-22)19-29-17-15-28(16-18-29)14-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-13H,2,6,9,14-19H2,1H3