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

Systemtic Name: 3-chloranyl-4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-chloro-4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one CAS Name: 3-chloro-4-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-chloro-4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-chloro-4-[4-[4-(2-methoxyphenyl)piperazino]butyl]-1,4-benzoxazepin-5-one Formula: C24H28ClN3O3 MolecularWeight: 441.95042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClN3O3/c1-30-22-11-5-3-9-20(22)27-16-14-26(15-17-27)12-6-7-13-28-23(25)18-31-21-10-4-2-8-19(21)24(28)29/h2-5,8-11,18H,6-7,12-17H2,1H3