4-(azepan-1-ylmethyl)-N-[2,4,5-tris(chloranyl)phenyl]benzamide

Systemtic Name: 4-(azepan-1-ylmethyl)-N-[2,4,5-tris(chloranyl)phenyl]benzamide Openeye Name: 4-(azepan-1-ylmethyl)-N-(2,4,5-trichlorophenyl)benzamide CAS Name: 4-(1-azepanylmethyl)-N-(2,4,5-trichlorophenyl)benzamide IUPAC Name: 4-(azepan-1-ylmethyl)-N-(2,4,5-trichlorophenyl)benzamide Traditional Name: 4-(azepan-1-ylmethyl)-N-(2,4,5-trichlorophenyl)benzamide Formula: C20H21Cl3N2O MolecularWeight: 411.75254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3Cl)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3Cl)Cl)Cl

InChI

InChI=1S/C20H21Cl3N2O/c21-16-11-18(23)19(12-17(16)22)24-20(26)15-7-5-14(6-8-15)13-25-9-3-1-2-4-10-25/h5-8,11-12H,1-4,9-10,13H2,(H,24,26)