[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl] ester Formula: C21H22N4O3 MolecularWeight: 378.42438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C21H22N4O3/c1-24(2)18-8-4-16(5-9-18)14-22-20(26)15-28-21(27)17-6-10-19(11-7-17)25-13-3-12-23-25/h3-13H,14-15H2,1-2H3,(H,22,26)