[2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: [2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid [2-keto-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=C(N=CC=C2)N3C=NC=N3

Isomeric SMILES

CC1CCCCC1NC(=O)COC(=O)C2=C(N=CC=C2)N3C=NC=N3

InChI

InChI=1S/C17H21N5O3/c1-12-5-2-3-7-14(12)21-15(23)9-25-17(24)13-6-4-8-19-16(13)22-11-18-10-20-22/h4,6,8,10-12,14H,2-3,5,7,9H2,1H3,(H,21,23)