3-chloranyl-8-methyl-4-[4-(4-phenylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3-chloranyl-8-methyl-4-[4-(4-phenylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-chloro-8-methyl-4-[4-(4-phenylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3-chloro-8-methyl-4-[4-(4-phenyl-1-piperazinyl)butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-chloro-8-methyl-4-[4-(4-phenylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-chloro-8-methyl-4-[4-(4-phenylpiperazino)butyl]-1,4-benzoxazepin-5-one Formula: C24H28ClN3O2 MolecularWeight: 425.95102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C(=CO2)Cl)CCCCN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C(=CO2)Cl)CCCCN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H28ClN3O2/c1-19-9-10-21-22(17-19)30-18-23(25)28(24(21)29)12-6-5-11-26-13-15-27(16-14-26)20-7-3-2-4-8-20/h2-4,7-10,17-18H,5-6,11-16H2,1H3