3-[5-[[3-[(1-methylpyrazol-3-yl)carbonylamino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[[3-[(1-methylpyrazol-3-yl)carbonylamino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[3-[[(1-methyl-3-pyrazolyl)-oxomethyl]amino]anilino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propionic acid Formula: C18H18N6O4 MolecularWeight: 382.37332

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=NN3CCC(=O)O

Isomeric SMILES

CN1C=CC(=N1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=NN3CCC(=O)O

InChI

InChI=1S/C18H18N6O4/c1-23-9-6-14(22-23)17(27)20-12-3-2-4-13(11-12)21-18(28)15-5-8-19-24(15)10-7-16(25)26/h2-6,8-9,11H,7,10H2,1H3,(H,20,27)(H,21,28)(H,25,26)