3-[5-[(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[[4-(1-piperidyl)-2,1,3-benzoxadiazol-7-yl]carbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[oxo-[[4-(1-piperidinyl)-2,1,3-benzoxadiazol-7-yl]amino]methyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[(7-piperidinobenzofurazan-4-yl)carbamoyl]pyrazol-1-yl]propionic 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)C4=CC=NN4CCC(=O)O

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C3=NON=C23)NC(=O)C4=CC=NN4CCC(=O)O

InChI

InChI=1S/C18H20N6O4/c25-15(26)7-11-24-14(6-8-19-24)18(27)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,20,27)(H,25,26)