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

Systemtic Name: [2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxidanylidene-ethyl] 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: [2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxo-ethyl] 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid [2-[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-2-oxoethyl] ester IUPAC Name: [2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid [2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-keto-ethyl] ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32)C

InChI

InChI=1S/C20H22N4O4/c1-13-10-14(2)24(23-13)9-5-8-21-19(26)12-28-20(27)16-11-18(25)22-17-7-4-3-6-15(16)17/h3-4,6-7,10-11H,5,8-9,12H2,1-2H3,(H,21,26)(H,22,25)