ethyl N-[1-[4-(oxepin-2-yl)piperazin-1-yl]propan-2-yl]-N-pyridin-2-yl-carbamate

Systemtic Name: ethyl N-[1-[4-(oxepin-2-yl)piperazin-1-yl]propan-2-yl]-N-pyridin-2-yl-carbamate Openeye Name: ethyl N-[1-methyl-2-[4-(oxepin-2-yl)piperazin-1-yl]ethyl]-N-(2-pyridyl)carbamate CAS Name: N-[1-[4-(2-oxepinyl)-1-piperazinyl]propan-2-yl]-N-(2-pyridinyl)carbamic acid ethyl ester IUPAC Name: ethyl N-[1-[4-(oxepin-2-yl)piperazin-1-yl]propan-2-yl]-N-pyridin-2-ylcarbamate Traditional Name: N-[1-methyl-2-[4-(oxepin-2-yl)piperazino]ethyl]-N-(2-pyridyl)carbamic acid ethyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(C1=CC=CC=N1)C(C)CN2CCN(CC2)C3=CC=CC=CO3

Isomeric SMILES

CCOC(=O)N(C1=CC=CC=N1)C(C)CN2CCN(CC2)C3=CC=CC=CO3

InChI

InChI=1S/C21H28N4O3/c1-3-27-21(26)25(19-9-6-7-11-22-19)18(2)17-23-12-14-24(15-13-23)20-10-5-4-8-16-28-20/h4-11,16,18H,3,12-15,17H2,1-2H3