1-[3-[di(propan-2-yl)amino]-2-oxidanyl-propyl]-5-methyl-2-phenyl-4-(phenylcarbonyl)pyrazol-3-one

Systemtic Name: 1-[3-[di(propan-2-yl)amino]-2-oxidanyl-propyl]-5-methyl-2-phenyl-4-(phenylcarbonyl)pyrazol-3-one Openeye Name: 4-benzoyl-1-[3-(diisopropylamino)-2-hydroxy-propyl]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-benzoyl-1-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-benzoyl-1-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]-5-methyl-2-phenylpyrazol-3-one Traditional Name: 4-benzoyl-1-[3-(diisopropylamino)-2-hydroxy-propyl]-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1CC(CN(C(C)C)C(C)C)O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(N1CC(CN(C(C)C)C(C)C)O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H33N3O3/c1-18(2)27(19(3)4)16-23(30)17-28-20(5)24(25(31)21-12-8-6-9-13-21)26(32)29(28)22-14-10-7-11-15-22/h6-15,18-19,23,30H,16-17H2,1-5H3