N-[(2S)-1-(benzotriazol-1-yl)-3-methyl-butan-2-yl]-2-(3,4-dimethoxyphenyl)ethanamide

Systemtic Name: N-[(2S)-1-(benzotriazol-1-yl)-3-methyl-butan-2-yl]-2-(3,4-dimethoxyphenyl)ethanamide Openeye Name: N-[(1S)-1-(benzotriazol-1-ylmethyl)-2-methyl-propyl]-2-(3,4-dimethoxyphenyl)acetamide CAS Name: N-[(2S)-1-(1-benzotriazolyl)-3-methylbutan-2-yl]-2-(3,4-dimethoxyphenyl)acetamide IUPAC Name: N-[(2S)-1-(benzotriazol-1-yl)-3-methylbutan-2-yl]-2-(3,4-dimethoxyphenyl)acetamide Traditional Name: N-[(1S)-1-(benzotriazol-1-ylmethyl)-2-methyl-propyl]-2-(3,4-dimethoxyphenyl)acetamide Formula: C21H26N4O3 MolecularWeight: 382.45614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN1C2=CC=CC=C2N=N1)NC(=O)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)[C@@H](CN1C2=CC=CC=C2N=N1)NC(=O)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H26N4O3/c1-14(2)17(13-25-18-8-6-5-7-16(18)23-24-25)22-21(26)12-15-9-10-19(27-3)20(11-15)28-4/h5-11,14,17H,12-13H2,1-4H3,(H,22,26)/t17-/m1/s1