3-[5-azanyl-4-(phenylcarbonyl)pyrazol-1-yl]-4-methyl-benzoic acid

Systemtic Name: 3-[5-azanyl-4-(phenylcarbonyl)pyrazol-1-yl]-4-methyl-benzoic acid Openeye Name: 3-(5-amino-4-benzoyl-pyrazol-1-yl)-4-methyl-benzoic acid CAS Name: 3-(5-amino-4-benzoyl-1-pyrazolyl)-4-methylbenzoic acid IUPAC Name: 3-(5-amino-4-benzoylpyrazol-1-yl)-4-methylbenzoic acid Traditional Name: 3-(5-amino-4-benzoyl-pyrazol-1-yl)-4-methyl-benzoic acid Formula: C18H15N3O3 MolecularWeight: 321.33

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)N2C(=C(C=N2)C(=O)C3=CC=CC=C3)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)N2C(=C(C=N2)C(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C18H15N3O3/c1-11-7-8-13(18(23)24)9-15(11)21-17(19)14(10-20-21)16(22)12-5-3-2-4-6-12/h2-10H,19H2,1H3,(H,23,24)