methyl 5-chloranyl-6-methoxy-3-[[4-(1,2,3-triazol-1-ylmethyl)naphthalen-1-yl]carbonylamino]pyrazine-2-carboxylate

Systemtic Name: methyl 5-chloranyl-6-methoxy-3-[[4-(1,2,3-triazol-1-ylmethyl)naphthalen-1-yl]carbonylamino]pyrazine-2-carboxylate Openeye Name: methyl 5-chloro-6-methoxy-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyrazine-2-carboxylate CAS Name: 5-chloro-6-methoxy-3-[[oxo-[4-(1-triazolylmethyl)-1-naphthalenyl]methyl]amino]-2-pyrazinecarboxylic acid methyl ester IUPAC Name: methyl 5-chloro-6-methoxy-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyrazine-2-carboxylate Traditional Name: 5-chloro-6-methoxy-3-[[4-(triazol-1-ylmethyl)-1-naphthoyl]amino]pyrazinic acid methyl ester Formula: C21H17ClN6O4 MolecularWeight: 452.85048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(N=C1Cl)NC(=O)C2=CC=C(C3=CC=CC=C32)CN4C=CN=N4)C(=O)OC

Isomeric SMILES

COC1=NC(=C(N=C1Cl)NC(=O)C2=CC=C(C3=CC=CC=C32)CN4C=CN=N4)C(=O)OC

InChI

InChI=1S/C21H17ClN6O4/c1-31-20-17(22)25-18(16(24-20)21(30)32-2)26-19(29)15-8-7-12(11-28-10-9-23-27-28)13-5-3-4-6-14(13)15/h3-10H,11H2,1-2H3,(H,25,26,29)