6-methoxy-1-(phenylmethyl)-4-(3-pyridin-2-ylpropanoyl)-1,4-diazepan-2-one

Systemtic Name: 6-methoxy-1-(phenylmethyl)-4-(3-pyridin-2-ylpropanoyl)-1,4-diazepan-2-one Openeye Name: 1-benzyl-6-methoxy-4-[3-(2-pyridyl)propanoyl]-1,4-diazepan-2-one CAS Name: 6-methoxy-4-[1-oxo-3-(2-pyridinyl)propyl]-1-(phenylmethyl)-1,4-diazepan-2-one IUPAC Name: 1-benzyl-6-methoxy-4-(3-pyridin-2-ylpropanoyl)-1,4-diazepan-2-one Traditional Name: 1-benzyl-6-methoxy-4-[3-(2-pyridyl)propanoyl]-1,4-diazepan-2-one Formula: C21H25N3O3 MolecularWeight: 367.4415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CC(=O)N(C1)CC2=CC=CC=C2)C(=O)CCC3=CC=CC=N3

Isomeric SMILES

COC1CN(CC(=O)N(C1)CC2=CC=CC=C2)C(=O)CCC3=CC=CC=N3

InChI

InChI=1S/C21H25N3O3/c1-27-19-14-23(13-17-7-3-2-4-8-17)21(26)16-24(15-19)20(25)11-10-18-9-5-6-12-22-18/h2-9,12,19H,10-11,13-16H2,1H3