[1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-(2-isopropyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-(2-isopropyl-6-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C22H24N4O3/c1-14(2)19-7-5-6-15(3)20(19)25-21(27)16(4)29-22(28)17-8-10-18(11-9-17)26-13-23-12-24-26/h5-14,16H,1-4H3,(H,25,27)