4-[(3-methylthiophen-2-yl)methyl]-1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-6-phenylmethoxy-1,4-diazepan-2-one

Systemtic Name: 4-[(3-methylthiophen-2-yl)methyl]-1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-6-phenylmethoxy-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-[(3-methyl-2-thienyl)methyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1,4-diazepan-2-one CAS Name: 4-[(3-methyl-2-thiophenyl)methyl]-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-6-phenylmethoxy-1,4-diazepan-2-one IUPAC Name: 4-[(3-methylthiophen-2-yl)methyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylmethoxy-1,4-diazepan-2-one Traditional Name: 6-benzoxy-1-[3-(2-ketopyrrolidino)propyl]-4-[(3-methyl-2-thienyl)methyl]-1,4-diazepan-2-one Formula: C25H33N3O3S MolecularWeight: 455.61282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN2CC(CN(C(=O)C2)CCCN3CCCC3=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC=C1)CN2CC(CN(C(=O)C2)CCCN3CCCC3=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O3S/c1-20-10-14-32-23(20)17-26-15-22(31-19-21-7-3-2-4-8-21)16-28(25(30)18-26)13-6-12-27-11-5-9-24(27)29/h2-4,7-8,10,14,22H,5-6,9,11-13,15-19H2,1H3