3-[4-(azepan-1-ylmethyl)phenyl]-2-ethyl-4-(2-methylpropoxy)benzamide

Systemtic Name: 3-[4-(azepan-1-ylmethyl)phenyl]-2-ethyl-4-(2-methylpropoxy)benzamide Openeye Name: 3-[4-(azepan-1-ylmethyl)phenyl]-2-ethyl-4-isobutoxy-benzamide CAS Name: 3-[4-(1-azepanylmethyl)phenyl]-2-ethyl-4-(2-methylpropoxy)benzamide IUPAC Name: 3-[4-(azepan-1-ylmethyl)phenyl]-2-ethyl-4-(2-methylpropoxy)benzamide Traditional Name: 3-[4-(azepan-1-ylmethyl)phenyl]-2-ethyl-4-isobutoxy-benzamide Formula: C26H36N2O2 MolecularWeight: 408.57624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1C2=CC=C(C=C2)CN3CCCCCC3)OCC(C)C)C(=O)N

Isomeric SMILES

CCC1=C(C=CC(=C1C2=CC=C(C=C2)CN3CCCCCC3)OCC(C)C)C(=O)N

InChI

InChI=1S/C26H36N2O2/c1-4-22-23(26(27)29)13-14-24(30-18-19(2)3)25(22)21-11-9-20(10-12-21)17-28-15-7-5-6-8-16-28/h9-14,19H,4-8,15-18H2,1-3H3,(H2,27,29)