3-(chloromethyl)-4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3-(chloromethyl)-4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-(chloromethyl)-4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one CAS Name: 3-(chloromethyl)-4-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-(chloromethyl)-4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-(chloromethyl)-4-[4-[4-(2-methoxyphenyl)piperazino]butyl]-1,4-benzoxazepin-5-one Formula: C25H30ClN3O3 MolecularWeight: 455.977

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=COC4=CC=CC=C4C3=O)CCl

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=COC4=CC=CC=C4C3=O)CCl

InChI

InChI=1S/C25H30ClN3O3/c1-31-24-11-5-3-9-22(24)28-16-14-27(15-17-28)12-6-7-13-29-20(18-26)19-32-23-10-4-2-8-21(23)25(29)30/h2-5,8-11,19H,6-7,12-18H2,1H3