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

Systemtic Name: 5-azanyl-1-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-phenethyl-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[2-(3-methylanilino)-2-oxo-ethyl]-N-phenethyl-triazole-4-carboxamide CAS Name: 5-amino-1-[2-(3-methylanilino)-2-oxoethyl]-N-phenethyl-4-triazolecarboxamide IUPAC Name: 5-amino-1-[2-(3-methylanilino)-2-oxoethyl]-N-phenethyltriazole-4-carboxamide Traditional Name: 5-amino-1-[2-keto-2-(m-toluidino)ethyl]-N-phenethyl-triazole-4-carboxamide Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCCC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCCC3=CC=CC=C3)N

InChI

InChI=1S/C20H22N6O2/c1-14-6-5-9-16(12-14)23-17(27)13-26-19(21)18(24-25-26)20(28)22-11-10-15-7-3-2-4-8-15/h2-9,12H,10-11,13,21H2,1H3,(H,22,28)(H,23,27)