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

Systemtic Name: 3-chloranyl-4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-7-methyl-1,4-benzoxazepin-5-one Openeye Name: 3-chloro-4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-7-methyl-1,4-benzoxazepin-5-one CAS Name: 3-chloro-4-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-7-methyl-1,4-benzoxazepin-5-one IUPAC Name: 3-chloro-4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-7-methyl-1,4-benzoxazepin-5-one Traditional Name: 3-chloro-4-[4-[4-(2-methoxyphenyl)piperazino]butyl]-7-methyl-1,4-benzoxazepin-5-one Formula: C25H30ClN3O3 MolecularWeight: 455.977

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCN(CC3)C4=CC=CC=C4OC)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCN(CC3)C4=CC=CC=C4OC)Cl

InChI

InChI=1S/C25H30ClN3O3/c1-19-9-10-22-20(17-19)25(30)29(24(26)18-32-22)12-6-5-11-27-13-15-28(16-14-27)21-7-3-4-8-23(21)31-2/h3-4,7-10,17-18H,5-6,11-16H2,1-2H3