5-methyl-1-[2-oxidanyl-3-(propan-2-ylamino)propyl]-2-phenyl-4-(3-phenylpropanoyl)pyrazol-3-one

Systemtic Name: 5-methyl-1-[2-oxidanyl-3-(propan-2-ylamino)propyl]-2-phenyl-4-(3-phenylpropanoyl)pyrazol-3-one Openeye Name: 1-[2-hydroxy-3-(isopropylamino)propyl]-5-methyl-2-phenyl-4-(3-phenylpropanoyl)pyrazol-3-one CAS Name: 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-5-methyl-4-(1-oxo-3-phenylpropyl)-2-phenyl-3-pyrazolone IUPAC Name: 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-5-methyl-2-phenyl-4-(3-phenylpropanoyl)pyrazol-3-one Traditional Name: 4-hydrocinnamoyl-1-[2-hydroxy-3-(isopropylamino)propyl]-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1CC(CNC(C)C)O)C2=CC=CC=C2)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(N1CC(CNC(C)C)O)C2=CC=CC=C2)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C25H31N3O3/c1-18(2)26-16-22(29)17-27-19(3)24(23(30)15-14-20-10-6-4-7-11-20)25(31)28(27)21-12-8-5-9-13-21/h4-13,18,22,26,29H,14-17H2,1-3H3