2-[(2-methyl-6-propan-2-yl-phenyl)methylcarbamoyl]-3-oxidanylidene-1-prop-2-ynyl-indazole-7-carboxylic acid

Systemtic Name: 2-[(2-methyl-6-propan-2-yl-phenyl)methylcarbamoyl]-3-oxidanylidene-1-prop-2-ynyl-indazole-7-carboxylic acid Openeye Name: 2-[(2-isopropyl-6-methyl-phenyl)methylcarbamoyl]-3-oxo-1-prop-2-ynyl-indazole-7-carboxylic acid CAS Name: 2-[[(2-methyl-6-propan-2-ylphenyl)methylamino]-oxomethyl]-3-oxo-1-prop-2-ynyl-7-indazolecarboxylic acid IUPAC Name: 2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxo-1-prop-2-ynylindazole-7-carboxylic acid Traditional Name: 2-[(2-isopropyl-6-methyl-benzyl)carbamoyl]-3-keto-1-propargyl-indazoline-7-carboxylic acid Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)CNC(=O)N2C(=O)C3=C(N2CC#C)C(=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)CNC(=O)N2C(=O)C3=C(N2CC#C)C(=CC=C3)C(=O)O

InChI

InChI=1S/C23H23N3O4/c1-5-12-25-20-17(10-7-11-18(20)22(28)29)21(27)26(25)23(30)24-13-19-15(4)8-6-9-16(19)14(2)3/h1,6-11,14H,12-13H2,2-4H3,(H,24,30)(H,28,29)