1-[1-oxidanylidene-1-[(1-propylbenzimidazol-2-yl)amino]propan-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[1-oxidanylidene-1-[(1-propylbenzimidazol-2-yl)amino]propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[1-methyl-2-oxo-2-[(1-propylbenzimidazol-2-yl)amino]ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[1-oxo-1-[(1-propyl-2-benzimidazolyl)amino]propan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[1-oxo-1-[(1-propylbenzimidazol-2-yl)amino]propan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-keto-1-methyl-2-[(1-propylbenzimidazol-2-yl)amino]ethyl]pyrazole-4-carboxylic acid Formula: C17H19N5O3 MolecularWeight: 341.36446

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1NC(=O)C(C)N3C=C(C=N3)C(=O)O

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1NC(=O)C(C)N3C=C(C=N3)C(=O)O

InChI

InChI=1S/C17H19N5O3/c1-3-8-21-14-7-5-4-6-13(14)19-17(21)20-15(23)11(2)22-10-12(9-18-22)16(24)25/h4-7,9-11H,3,8H2,1-2H3,(H,24,25)(H,19,20,23)