4-[(4-dimethylaminophenyl)methyl]-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 4-[(4-dimethylaminophenyl)methyl]-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-[(4-dimethylaminophenyl)methyl]-1-(3-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 4-[(4-dimethylaminophenyl)methyl]-6-phenylmethoxy-1-(3-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 4-[(4-dimethylaminophenyl)methyl]-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-benzoxy-4-[4-(dimethylamino)benzyl]-1-(3-pyridylmethyl)-1,4-diazepan-2-one Formula: C27H32N4O2 MolecularWeight: 444.56858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN2CC(CN(C(=O)C2)CC3=CN=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN2CC(CN(C(=O)C2)CC3=CN=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O2/c1-29(2)25-12-10-22(11-13-25)16-30-18-26(33-21-23-7-4-3-5-8-23)19-31(27(32)20-30)17-24-9-6-14-28-15-24/h3-15,26H,16-21H2,1-2H3