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

Systemtic Name: 4-[4-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one Openeye Name: 4-[4-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one CAS Name: 4-[4-[4-(6-methoxy-2-pyrazinyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 4-[4-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one Traditional Name: 4-[4-[4-(6-methoxypyrazin-2-yl)piperazino]butyl]-1,4-benzoxazepin-5-one Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=CN=C1)N2CCN(CC2)CCCCN3C=COC4=CC=CC=C4C3=O

Isomeric SMILES

COC1=NC(=CN=C1)N2CCN(CC2)CCCCN3C=COC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H27N5O3/c1-29-21-17-23-16-20(24-21)26-12-10-25(11-13-26)8-4-5-9-27-14-15-30-19-7-3-2-6-18(19)22(27)28/h2-3,6-7,14-17H,4-5,8-13H2,1H3