2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-(2-oxidanylideneazepan-3-yl)ethanamide

Systemtic Name: 2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-(2-oxidanylideneazepan-3-yl)ethanamide Openeye Name: 2-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-amino]-N-(2-oxoazepan-3-yl)acetamide CAS Name: 2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-oxo-3-azepanyl)acetamide IUPAC Name: 2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-oxoazepan-3-yl)acetamide Traditional Name: 2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-amino]-N-(2-ketoazepan-3-yl)acetamide Formula: C18H25BrN4O3 MolecularWeight: 425.3201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)CC(=O)NC2CCCCNC2=O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)CC(=O)NC2CCCCNC2=O

InChI

InChI=1S/C18H25BrN4O3/c1-12-9-13(19)6-7-14(12)21-16(24)10-23(2)11-17(25)22-15-5-3-4-8-20-18(15)26/h6-7,9,15H,3-5,8,10-11H2,1-2H3,(H,20,26)(H,21,24)(H,22,25)