5-azanyl-N-(5-chloranyl-2-methoxy-phenyl)-1-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-N-(5-chloranyl-2-methoxy-phenyl)-1-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-(2-anilino-2-oxo-ethyl)-N-(5-chloro-2-methoxy-phenyl)triazole-4-carboxamide CAS Name: 5-amino-1-(2-anilino-2-oxoethyl)-N-(5-chloro-2-methoxyphenyl)-4-triazolecarboxamide IUPAC Name: 5-amino-1-(2-anilino-2-oxoethyl)-N-(5-chloro-2-methoxyphenyl)triazole-4-carboxamide Traditional Name: 5-amino-1-(2-anilino-2-keto-ethyl)-N-(5-chloro-2-methoxy-phenyl)triazole-4-carboxamide Formula: C18H17ClN6O3 MolecularWeight: 400.81898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC=CC=C3)N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC=CC=C3)N

InChI

InChI=1S/C18H17ClN6O3/c1-28-14-8-7-11(19)9-13(14)22-18(27)16-17(20)25(24-23-16)10-15(26)21-12-5-3-2-4-6-12/h2-9H,10,20H2,1H3,(H,21,26)(H,22,27)