4-[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]-4-oxidanylidene-butanoate Openeye Name: 4-[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]-4-oxo-butanoate CAS Name: 4-[(1,3-diphenyl-4-pyrazolyl)methyl-methylamino]-4-oxobutanoate IUPAC Name: 4-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-4-oxobutanoate Traditional Name: 4-[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]-4-keto-butyrate Formula: C21H20N3O3- MolecularWeight: 362.4018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCC(=O)[O-]

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C21H21N3O3/c1-23(19(25)12-13-20(26)27)14-17-15-24(18-10-6-3-7-11-18)22-21(17)16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H,26,27)/p-1