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

Systemtic Name: [2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxidanylidene-ethyl] anthracene-9-carboxylate Openeye Name: [2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxo-ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [2-[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-2-oxoethyl] ester IUPAC Name: [2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-keto-ethyl] ester Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42)C

InChI

InChI=1S/C25H25N3O3/c1-17-14-18(2)28(27-17)13-7-12-26-23(29)16-31-25(30)24-21-10-5-3-8-19(21)15-20-9-4-6-11-22(20)24/h3-6,8-11,14-15H,7,12-13,16H2,1-2H3,(H,26,29)