1-(2-methylpropyl)-4-(5-oxidanylidenepyrrolidin-3-yl)carbonyl-6-phenylmethoxy-1,4-diazepan-2-one

Systemtic Name: 1-(2-methylpropyl)-4-(5-oxidanylidenepyrrolidin-3-yl)carbonyl-6-phenylmethoxy-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-1-isobutyl-4-(5-oxopyrrolidine-3-carbonyl)-1,4-diazepan-2-one CAS Name: 1-(2-methylpropyl)-4-[oxo-(5-oxo-3-pyrrolidinyl)methyl]-6-phenylmethoxy-1,4-diazepan-2-one IUPAC Name: 1-(2-methylpropyl)-4-(5-oxopyrrolidine-3-carbonyl)-6-phenylmethoxy-1,4-diazepan-2-one Traditional Name: 6-benzoxy-1-isobutyl-4-(5-ketopyrrolidine-3-carbonyl)-1,4-diazepan-2-one Formula: C21H29N3O4 MolecularWeight: 387.47266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(CN(CC1=O)C(=O)C2CC(=O)NC2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1CC(CN(CC1=O)C(=O)C2CC(=O)NC2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O4/c1-15(2)10-23-11-18(28-14-16-6-4-3-5-7-16)12-24(13-20(23)26)21(27)17-8-19(25)22-9-17/h3-7,15,17-18H,8-14H2,1-2H3,(H,22,25)