ethyl 4-[(4-pyridin-4-ylcarbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(4-pyridin-4-ylcarbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[4-(pyridine-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-[oxo(pyridin-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(pyridine-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[(4-isonicotinoyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H28N4O4 MolecularWeight: 424.49282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC=NC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C23H28N4O4/c1-2-30-23(29)26-11-9-25(10-12-26)16-18-3-4-21-20(15-18)17-27(13-14-31-21)22(28)19-5-7-24-8-6-19/h3-8,15H,2,9-14,16-17H2,1H3