N-[6-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[6-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenoxy-ethanamide Openeye Name: N-[6-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]-2-phenoxy-acetamide CAS Name: N-[6-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide IUPAC Name: N-[6-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenoxyacetamide Traditional Name: N-[6-(4-p-anisyl-1,4-diazepan-1-yl)-3-pyridyl]-2-phenoxy-acetamide Formula: C26H30N4O3 MolecularWeight: 446.5414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3/c1-32-23-11-8-21(9-12-23)19-29-14-5-15-30(17-16-29)25-13-10-22(18-27-25)28-26(31)20-33-24-6-3-2-4-7-24/h2-4,6-13,18H,5,14-17,19-20H2,1H3,(H,28,31)