[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate

Systemtic Name: [2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate Openeye Name: [2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxo-ethyl] 1H-indazole-3-carboxylate CAS Name: 1H-indazole-3-carboxylic acid [2-[methyl-[(1-phenyl-4-pyrazolyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl] 1H-indazole-3-carboxylate Traditional Name: 1H-indazole-3-carboxylic acid [2-keto-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethyl] ester Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)COC(=O)C3=NNC4=CC=CC=C43

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)COC(=O)C3=NNC4=CC=CC=C43

InChI

InChI=1S/C21H19N5O3/c1-25(12-15-11-22-26(13-15)16-7-3-2-4-8-16)19(27)14-29-21(28)20-17-9-5-6-10-18(17)23-24-20/h2-11,13H,12,14H2,1H3,(H,23,24)