[2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] 1-phenylpyrazole-4-carboxylate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] 1-phenylpyrazole-4-carboxylate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)anilino)-2-oxo-ethyl] 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic acid [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid [2-(N-(3-amino-3-keto-propyl)anilino)-2-keto-ethyl] ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)OCC(=O)N(CCC(=O)N)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)OCC(=O)N(CCC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O4/c22-19(26)11-12-24(17-7-3-1-4-8-17)20(27)15-29-21(28)16-13-23-25(14-16)18-9-5-2-6-10-18/h1-10,13-14H,11-12,15H2,(H2,22,26)