1-[4-[[4-(1-pyridin-3-ylpropan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[[4-(1-pyridin-3-ylpropan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[[4-[1-methyl-2-(3-pyridyl)ethyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[4-[1-(3-pyridinyl)propan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[[4-(1-pyridin-3-ylpropan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[[4-[1-methyl-2-(3-pyridyl)ethyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazino]ethanone Formula: C24H32N4O2 MolecularWeight: 408.53648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CN=CC=C1)N2CCOC3=C(C2)C=C(C=C3)CN4CCN(CC4)C(=O)C

Isomeric SMILES

CC(CC1=CN=CC=C1)N2CCOC3=C(C2)C=C(C=C3)CN4CCN(CC4)C(=O)C

InChI

InChI=1S/C24H32N4O2/c1-19(14-21-4-3-7-25-16-21)28-12-13-30-24-6-5-22(15-23(24)18-28)17-26-8-10-27(11-9-26)20(2)29/h3-7,15-16,19H,8-14,17-18H2,1-2H3