2-[3-oxidanylidene-3-[(1-propylbenzimidazol-2-yl)amino]propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-oxidanylidene-3-[(1-propylbenzimidazol-2-yl)amino]propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-oxo-3-[(1-propylbenzimidazol-2-yl)amino]propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-oxo-3-[(1-propyl-2-benzimidazolyl)amino]propyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-oxo-3-[(1-propylbenzimidazol-2-yl)amino]propyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-[(1-propylbenzimidazol-2-yl)amino]propyl]pyrazole-3-carboxylic acid Formula: C17H19N5O3 MolecularWeight: 341.36446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1NC(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1NC(=O)CCN3C(=CC=N3)C(=O)O

InChI

InChI=1S/C17H19N5O3/c1-2-10-21-13-6-4-3-5-12(13)19-17(21)20-15(23)8-11-22-14(16(24)25)7-9-18-22/h3-7,9H,2,8,10-11H2,1H3,(H,24,25)(H,19,20,23)