5-azanyl-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methyl-2-phenyl-pyrazol-3-one hydrate

Systemtic Name: 5-azanyl-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methyl-2-phenyl-pyrazol-3-one hydrate Openeye Name: 5-amino-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methyl-2-phenyl-pyrazol-3-one hydrate CAS Name: 5-amino-4-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-1-methyl-2-phenyl-3-pyrazolone hydrate IUPAC Name: 5-amino-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methyl-2-phenylpyrazol-3-one hydrate Traditional Name: 5-amino-4-[[4-(2-methoxyphenyl)piperazino]methyl]-1-methyl-2-phenyl-3-pyrazolin-3-one hydrate Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)CN3CCN(CC3)C4=CC=CC=C4OC)N.O

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)CN3CCN(CC3)C4=CC=CC=C4OC)N.O

InChI

InChI=1S/C22H27N5O2.H2O/c1-24-21(23)18(22(28)27(24)17-8-4-3-5-9-17)16-25-12-14-26(15-13-25)19-10-6-7-11-20(19)29-2;/h3-11H,12-16,23H2,1-2H3;1H2