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

Systemtic Name: 5-azanyl-1-methyl-2-phenyl-4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrazol-3-one Openeye Name: 5-amino-4-[[4-(2-isopropoxyphenyl)piperazin-1-yl]methyl]-1-methyl-2-phenyl-pyrazol-3-one CAS Name: 5-amino-1-methyl-2-phenyl-4-[[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]methyl]-3-pyrazolone IUPAC Name: 5-amino-1-methyl-2-phenyl-4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrazol-3-one Traditional Name: 5-amino-4-[[4-(2-isopropoxyphenyl)piperazino]methyl]-1-methyl-2-phenyl-3-pyrazolin-3-one Formula: C24H31N5O2 MolecularWeight: 421.53524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=C(N(N(C3=O)C4=CC=CC=C4)C)N

Isomeric SMILES

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=C(N(N(C3=O)C4=CC=CC=C4)C)N

InChI

InChI=1S/C24H31N5O2/c1-18(2)31-22-12-8-7-11-21(22)28-15-13-27(14-16-28)17-20-23(25)26(3)29(24(20)30)19-9-5-4-6-10-19/h4-12,18H,13-17,25H2,1-3H3