N-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-propyl-4-(1,2,4-triazol-1-ylmethyl)benzamide

Systemtic Name: N-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-propyl-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-[2-(2-methylanilino)-2-oxo-ethyl]-N-propyl-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-[2-keto-2-(o-toluidino)ethyl]-N-propyl-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C22H25N5O2/c1-3-12-26(14-21(28)25-20-7-5-4-6-17(20)2)22(29)19-10-8-18(9-11-19)13-27-16-23-15-24-27/h4-11,15-16H,3,12-14H2,1-2H3,(H,25,28)