[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid [1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cycloheptylamino)-1-oxopropan-2-yl] 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid [2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OC(C)C(=O)NC2CCCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(N=C1C(=O)OC(C)C(=O)NC2CCCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C20H26N4O3/c1-14-18(23-24(22-14)17-12-8-5-9-13-17)20(26)27-15(2)19(25)21-16-10-6-3-4-7-11-16/h5,8-9,12-13,15-16H,3-4,6-7,10-11H2,1-2H3,(H,21,25)