[2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-[3-(N-methylanilino)propylamino]-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] ester IUPAC Name: [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-keto-2-[3-(N-methylanilino)propylamino]ethyl] ester Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)COC(=O)C1=CC=C(C=C1)N2C=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CN(CCCNC(=O)COC(=O)C1=CC=C(C=C1)N2C=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O3/c1-25(19-7-3-2-4-8-19)15-5-13-23-21(27)17-29-22(28)18-9-11-20(12-10-18)26-16-6-14-24-26/h2-4,6-12,14,16H,5,13,15,17H2,1H3,(H,23,27)