3-chloranyl-4-[4-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]butyl]-7-methyl-1,4-benzoxazepin-5-one

Systemtic Name: 3-chloranyl-4-[4-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]butyl]-7-methyl-1,4-benzoxazepin-5-one Openeye Name: 3-chloro-4-[4-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]butyl]-7-methyl-1,4-benzoxazepin-5-one CAS Name: 3-chloro-4-[4-[4-(6-methoxy-2-pyrazinyl)-1-piperazinyl]butyl]-7-methyl-1,4-benzoxazepin-5-one IUPAC Name: 3-chloro-4-[4-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]butyl]-7-methyl-1,4-benzoxazepin-5-one Traditional Name: 3-chloro-4-[4-[4-(6-methoxypyrazin-2-yl)piperazino]butyl]-7-methyl-1,4-benzoxazepin-5-one Formula: C23H28ClN5O3 MolecularWeight: 457.95312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCN(CC3)C4=CN=CC(=N4)OC)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCN(CC3)C4=CN=CC(=N4)OC)Cl

InChI

InChI=1S/C23H28ClN5O3/c1-17-5-6-19-18(13-17)23(30)29(20(24)16-32-19)8-4-3-7-27-9-11-28(12-10-27)21-14-25-15-22(26-21)31-2/h5-6,13-16H,3-4,7-12H2,1-2H3