3-[[4-[2-(dimethylaminomethyl)phenyl]phenyl]-(2-oxidanylideneazepan-3-yl)amino]benzenecarboximidamide

Systemtic Name: 3-[[4-[2-(dimethylaminomethyl)phenyl]phenyl]-(2-oxidanylideneazepan-3-yl)amino]benzenecarboximidamide Openeye Name: 3-[4-[2-(dimethylaminomethyl)phenyl]-N-(2-oxoazepan-3-yl)anilino]benzamidine CAS Name: 3-[4-[2-(dimethylaminomethyl)phenyl]-N-(2-oxo-3-azepanyl)anilino]benzenecarboximidamide IUPAC Name: 3-[4-[2-(dimethylaminomethyl)phenyl]-N-(2-oxoazepan-3-yl)anilino]benzenecarboximidamide Traditional Name: 3-[4-[2-(dimethylaminomethyl)phenyl]-N-(2-ketoazepan-3-yl)anilino]benzamidine Formula: C28H33N5O MolecularWeight: 455.59452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1C2=CC=C(C=C2)N(C3CCCCNC3=O)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CN(C)CC1=CC=CC=C1C2=CC=C(C=C2)N(C3CCCCNC3=O)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C28H33N5O/c1-32(2)19-22-8-3-4-11-25(22)20-13-15-23(16-14-20)33(26-12-5-6-17-31-28(26)34)24-10-7-9-21(18-24)27(29)30/h3-4,7-11,13-16,18,26H,5-6,12,17,19H2,1-2H3,(H3,29,30)(H,31,34)