N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-(imidazol-1-ylmethyl)-N-methyl-benzamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-(imidazol-1-ylmethyl)-N-methyl-benzamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-3-(imidazol-1-ylmethyl)-N-methyl-benzamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(1-imidazolylmethyl)-N-methylbenzamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(imidazol-1-ylmethyl)-N-methylbenzamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-3-(imidazol-1-ylmethyl)-N-methyl-benzamide Formula: C21H21BrN4O2 MolecularWeight: 441.32104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=CC(=CC=C2)CN3C=CN=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=CC(=CC=C2)CN3C=CN=C3

InChI

InChI=1S/C21H21BrN4O2/c1-15-10-18(22)6-7-19(15)24-20(27)13-25(2)21(28)17-5-3-4-16(11-17)12-26-9-8-23-14-26/h3-11,14H,12-13H2,1-2H3,(H,24,27)