5-azanyl-1-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-phenethyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-1-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-phenethyl-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[2-(3-methoxyanilino)-2-oxo-ethyl]-N-phenethyl-triazole-4-carboxamide CAS Name: 5-amino-1-[2-(3-methoxyanilino)-2-oxoethyl]-N-phenethyl-4-triazolecarboxamide IUPAC Name: 5-amino-1-[2-(3-methoxyanilino)-2-oxoethyl]-N-phenethyltriazole-4-carboxamide Traditional Name: 5-amino-1-[2-keto-2-(m-anisidino)ethyl]-N-phenethyl-triazole-4-carboxamide Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCCC3=CC=CC=C3)N

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCCC3=CC=CC=C3)N

InChI

InChI=1S/C20H22N6O3/c1-29-16-9-5-8-15(12-16)23-17(27)13-26-19(21)18(24-25-26)20(28)22-11-10-14-6-3-2-4-7-14/h2-9,12H,10-11,13,21H2,1H3,(H,22,28)(H,23,27)