tert-butyl N-[1-[[3-[(2-methylphenyl)amino]phenyl]methyl]-2-oxidanylidene-azepan-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-[[3-[(2-methylphenyl)amino]phenyl]methyl]-2-oxidanylidene-azepan-3-yl]carbamate Openeye Name: tert-butyl N-[1-[[3-(2-methylanilino)phenyl]methyl]-2-oxo-azepan-3-yl]carbamate CAS Name: N-[1-[[3-(2-methylanilino)phenyl]methyl]-2-oxo-3-azepanyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[[3-(2-methylanilino)phenyl]methyl]-2-oxoazepan-3-yl]carbamate Traditional Name: N-[2-keto-1-[3-(o-toluidino)benzyl]azepan-3-yl]carbamic acid tert-butyl ester Formula: C25H33N3O3 MolecularWeight: 423.54782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=CC=CC(=C2)CN3CCCCC(C3=O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1NC2=CC=CC(=C2)CN3CCCCC(C3=O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H33N3O3/c1-18-10-5-6-13-21(18)26-20-12-9-11-19(16-20)17-28-15-8-7-14-22(23(28)29)27-24(30)31-25(2,3)4/h5-6,9-13,16,22,26H,7-8,14-15,17H2,1-4H3,(H,27,30)