[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxidanylidene-ethyl] 4-acetamidobenzoate

Systemtic Name: [2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxidanylidene-ethyl] 4-acetamidobenzoate Openeye Name: [2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxo-ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid [2-[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-2-oxoethyl] ester IUPAC Name: [2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl] 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-keto-ethyl] ester Formula: C19H24N4O4 MolecularWeight: 372.41826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C)C

InChI

InChI=1S/C19H24N4O4/c1-13-11-14(2)23(22-13)10-4-9-20-18(25)12-27-19(26)16-5-7-17(8-6-16)21-15(3)24/h5-8,11H,4,9-10,12H2,1-3H3,(H,20,25)(H,21,24)