3-chloranyl-8-methoxy-4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3-chloranyl-8-methoxy-4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-chloro-8-methoxy-4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one CAS Name: 3-chloro-8-methoxy-4-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-chloro-8-methoxy-4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-chloro-8-methoxy-4-[4-[4-(2-methoxyphenyl)piperazino]butyl]-1,4-benzoxazepin-5-one Formula: C25H30ClN3O4 MolecularWeight: 471.9764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C(=CO2)Cl)CCCCN3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C(=CO2)Cl)CCCCN3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C25H30ClN3O4/c1-31-19-9-10-20-23(17-19)33-18-24(26)29(25(20)30)12-6-5-11-27-13-15-28(16-14-27)21-7-3-4-8-22(21)32-2/h3-4,7-10,17-18H,5-6,11-16H2,1-2H3