[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate

Systemtic Name: [2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate Openeye Name: [2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxo-ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-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] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-keto-ethyl] ester Formula: C24H25N3O4 MolecularWeight: 419.473

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)COC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)COC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C

InChI

InChI=1S/C24H25N3O4/c1-16-14-17(2)27(26-16)13-7-12-25-22(28)15-30-24(29)23-18-8-3-5-10-20(18)31-21-11-6-4-9-19(21)23/h3-6,8-11,14,23H,7,12-13,15H2,1-2H3,(H,25,28)