(2S)-2-(benzotriazol-1-ylmethylamino)-4-methyl-N-(4-methylphenyl)pentanamide

Systemtic Name: (2S)-2-(benzotriazol-1-ylmethylamino)-4-methyl-N-(4-methylphenyl)pentanamide Openeye Name: (2S)-2-(benzotriazol-1-ylmethylamino)-4-methyl-N-(p-tolyl)pentanamide CAS Name: (2S)-2-(1-benzotriazolylmethylamino)-4-methyl-N-(4-methylphenyl)pentanamide IUPAC Name: (2S)-2-(benzotriazol-1-ylmethylamino)-4-methyl-N-(4-methylphenyl)pentanamide Traditional Name: (2S)-2-(benzotriazol-1-ylmethylamino)-4-methyl-N-(p-tolyl)valeramide Formula: C20H25N5O MolecularWeight: 351.4454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(CC(C)C)NCN2C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](CC(C)C)NCN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H25N5O/c1-14(2)12-18(20(26)22-16-10-8-15(3)9-11-16)21-13-25-19-7-5-4-6-17(19)23-24-25/h4-11,14,18,21H,12-13H2,1-3H3,(H,22,26)/t18-/m0/s1