2-[3-oxidanylidene-3-[(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)amino]propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-oxidanylidene-3-[(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)amino]propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-oxo-3-[[4-(1-piperidyl)-2,1,3-benzoxadiazol-7-yl]amino]propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-oxo-3-[[4-(1-piperidinyl)-2,1,3-benzoxadiazol-7-yl]amino]propyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-oxo-3-[(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)amino]propyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-[(7-piperidinobenzofurazan-4-yl)amino]propyl]pyrazole-3-carboxylic acid Formula: C18H20N6O4 MolecularWeight: 384.3892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C3=NON=C23)NC(=O)CCN4C(=CC=N4)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C3=NON=C23)NC(=O)CCN4C(=CC=N4)C(=O)O

InChI

InChI=1S/C18H20N6O4/c25-15(7-11-24-14(18(26)27)6-8-19-24)20-12-4-5-13(17-16(12)21-28-22-17)23-9-2-1-3-10-23/h4-6,8H,1-3,7,9-11H2,(H,20,25)(H,26,27)