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

Systemtic Name: 5-azanyl-1-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-phenethyl-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]-N-phenethyl-triazole-4-carboxamide CAS Name: 5-amino-1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-phenethyl-4-triazolecarboxamide IUPAC Name: 5-amino-1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-phenethyltriazole-4-carboxamide Traditional Name: 5-amino-1-[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]-N-phenethyl-triazole-4-carboxamide Formula: C20H21ClN6O2 MolecularWeight: 412.87274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN6O2/c1-13-7-8-15(11-16(13)21)24-17(28)12-27-19(22)18(25-26-27)20(29)23-10-9-14-5-3-2-4-6-14/h2-8,11H,9-10,12,22H2,1H3,(H,23,29)(H,24,28)