5-oxidanylidene-1-(pyridin-2-ylmethyl)-N-[2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]pyrrolidine-3-carboxamide

Systemtic Name: 5-oxidanylidene-1-(pyridin-2-ylmethyl)-N-[2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]pyrrolidine-3-carboxamide Openeye Name: 5-oxo-1-(2-pyridylmethyl)-N-[2-[2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]pyrrolidine-3-carboxamide CAS Name: 5-oxo-1-(2-pyridinylmethyl)-N-[2-[2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-3-pyrrolidinecarboxamide IUPAC Name: 5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]pyrrolidine-3-carboxamide Traditional Name: 5-keto-1-(2-pyridylmethyl)-N-[2-[2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]pyrrolidine-3-carboxamide Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CC2=CC=CC=N2)C(=O)NCCN3CC(OC4=CC=CC=C4C3)C5=CSC=C5

Isomeric SMILES

C1C(CN(C1=O)CC2=CC=CC=N2)C(=O)NCCN3CC(OC4=CC=CC=C4C3)C5=CSC=C5

InChI

InChI=1S/C26H28N4O3S/c31-25-13-21(15-30(25)16-22-6-3-4-9-27-22)26(32)28-10-11-29-14-19-5-1-2-7-23(19)33-24(17-29)20-8-12-34-18-20/h1-9,12,18,21,24H,10-11,13-17H2,(H,28,32)