3-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-pyridin-4-ylethyl)propanamide

Systemtic Name: 3-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-pyridin-4-ylethyl)propanamide Openeye Name: 3-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[2-(4-pyridyl)ethyl]propanamide CAS Name: 3-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-pyridin-4-ylethyl)propanamide IUPAC Name: 3-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-pyridin-4-ylethyl)propanamide Traditional Name: 3-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[2-(4-pyridyl)ethyl]propionamide Formula: C23H31N3O2 MolecularWeight: 381.51114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CC2=CC=CC=C2O1)CCC(=O)NCCC3=CC=NC=C3

Isomeric SMILES

CCCCC1CN(CC2=CC=CC=C2O1)CCC(=O)NCCC3=CC=NC=C3

InChI

InChI=1S/C23H31N3O2/c1-2-3-7-21-18-26(17-20-6-4-5-8-22(20)28-21)16-12-23(27)25-15-11-19-9-13-24-14-10-19/h4-6,8-10,13-14,21H,2-3,7,11-12,15-18H2,1H3,(H,25,27)