4-[[azepan-1-ylcarbonyl-(2-naphthalen-2-yloxyethanoylamino)amino]methyl]benzenecarboximidamide hydrochloride

Systemtic Name: 4-[[azepan-1-ylcarbonyl-(2-naphthalen-2-yloxyethanoylamino)amino]methyl]benzenecarboximidamide hydrochloride Openeye Name: 4-[[azepane-1-carbonyl-[[2-(2-naphthyloxy)acetyl]amino]amino]methyl]benzamidine hydrochloride CAS Name: 4-[[[1-azepanyl(oxo)methyl]-[[2-(2-naphthalenyloxy)-1-oxoethyl]amino]amino]methyl]benzenecarboximidamide hydrochloride IUPAC Name: 4-[[azepane-1-carbonyl-[(2-naphthalen-2-yloxyacetyl)amino]amino]methyl]benzenecarboximidamide hydrochloride Traditional Name: 4-[[azepane-1-carbonyl-[[2-(2-naphthoxy)acetyl]amino]amino]methyl]benzamidine hydrochloride Formula: C27H32ClN5O3 MolecularWeight: 510.02768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)N(CC2=CC=C(C=C2)C(=N)N)NC(=O)COC3=CC4=CC=CC=C4C=C3.Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)N(CC2=CC=C(C=C2)C(=N)N)NC(=O)COC3=CC4=CC=CC=C4C=C3.Cl

InChI

InChI=1S/C27H31N5O3.ClH/c28-26(29)22-11-9-20(10-12-22)18-32(27(34)31-15-5-1-2-6-16-31)30-25(33)19-35-24-14-13-21-7-3-4-8-23(21)17-24;/h3-4,7-14,17H,1-2,5-6,15-16,18-19H2,(H3,28,29)(H,30,33);1H