[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C18H19N5O3/c19-11-18(8-2-1-3-9-18)22-16(24)10-26-17(25)14-4-6-15(7-5-14)23-13-20-12-21-23/h4-7,12-13H,1-3,8-10H2,(H,22,24)