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

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-(cyclooctylamino)-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-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)COC(=O)C2=C(N=CC=C2)N3C=NC=N3

Isomeric SMILES

C1CCCC(CCC1)NC(=O)COC(=O)C2=C(N=CC=C2)N3C=NC=N3

InChI

InChI=1S/C18H23N5O3/c24-16(22-14-7-4-2-1-3-5-8-14)11-26-18(25)15-9-6-10-20-17(15)23-13-19-12-21-23/h6,9-10,12-14H,1-5,7-8,11H2,(H,22,24)