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

Systemtic Name: 3-chloranyl-8-methoxy-4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-chloro-8-methoxy-4-[4-[4-(2-pyridyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one CAS Name: 3-chloro-8-methoxy-4-[4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-chloro-8-methoxy-4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-chloro-8-methoxy-4-[4-[4-(2-pyridyl)piperazino]butyl]-1,4-benzoxazepin-5-one Formula: C23H27ClN4O3 MolecularWeight: 442.93848

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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=N4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C(=CO2)Cl)CCCCN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C23H27ClN4O3/c1-30-18-7-8-19-20(16-18)31-17-21(24)28(23(19)29)11-5-4-10-26-12-14-27(15-13-26)22-6-2-3-9-25-22/h2-3,6-9,16-17H,4-5,10-15H2,1H3