3-[[1-[4-[2-(dimethylaminomethyl)phenyl]phenyl]-2-oxidanylidene-azepan-3-yl]amino]benzenecarboximidamide

Systemtic Name: 3-[[1-[4-[2-(dimethylaminomethyl)phenyl]phenyl]-2-oxidanylidene-azepan-3-yl]amino]benzenecarboximidamide Openeye Name: 3-[[1-[4-[2-(dimethylaminomethyl)phenyl]phenyl]-2-oxo-azepan-3-yl]amino]benzamidine CAS Name: 3-[[1-[4-[2-(dimethylaminomethyl)phenyl]phenyl]-2-oxo-3-azepanyl]amino]benzenecarboximidamide IUPAC Name: 3-[[1-[4-[2-(dimethylaminomethyl)phenyl]phenyl]-2-oxoazepan-3-yl]amino]benzenecarboximidamide Traditional Name: 3-[[1-[4-[2-(dimethylaminomethyl)phenyl]phenyl]-2-keto-azepan-3-yl]amino]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)N3CCCCC(C3=O)NC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CN(C)CC1=CC=CC=C1C2=CC=C(C=C2)N3CCCCC(C3=O)NC4=CC=CC(=C4)C(=N)N

InChI

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