2-(4-chlorophenyl)-4-[2-(2-methylpropylamino)ethanoyl]-5-phenyl-1H-pyrazol-3-one

Systemtic Name: 2-(4-chlorophenyl)-4-[2-(2-methylpropylamino)ethanoyl]-5-phenyl-1H-pyrazol-3-one Openeye Name: 2-(4-chlorophenyl)-4-[2-(isobutylamino)acetyl]-5-phenyl-1H-pyrazol-3-one CAS Name: 2-(4-chlorophenyl)-4-[2-(2-methylpropylamino)-1-oxoethyl]-5-phenyl-1H-pyrazol-3-one IUPAC Name: 2-(4-chlorophenyl)-4-[2-(2-methylpropylamino)acetyl]-5-phenyl-1H-pyrazol-3-one Traditional Name: 2-(4-chlorophenyl)-4-[2-(isobutylamino)acetyl]-5-phenyl-3-pyrazolin-3-one Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC(=O)C1=C(NN(C1=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)CNCC(=O)C1=C(NN(C1=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H22ClN3O2/c1-14(2)12-23-13-18(26)19-20(15-6-4-3-5-7-15)24-25(21(19)27)17-10-8-16(22)9-11-17/h3-11,14,23-24H,12-13H2,1-2H3