4-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-4-oxo-butanoate CAS Name: 4-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylamino]-4-oxobutanoate Traditional Name: 4-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-4-keto-butyrate Formula: C20H17ClN3O3- MolecularWeight: 382.82028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)CNC(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)CNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C20H18ClN3O3/c21-16-8-6-14(7-9-16)20-15(12-22-18(25)10-11-19(26)27)13-24(23-20)17-4-2-1-3-5-17/h1-9,13H,10-12H2,(H,22,25)(H,26,27)/p-1