4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione hydrochloride

Systemtic Name: 4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione hydrochloride Openeye Name: 4-[4-[4-(2-pyridyl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione hydrochloride CAS Name: 4-[4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-1,4-benzoxazepine-3,5-dione hydrochloride IUPAC Name: 4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione hydrochloride Traditional Name: 4-[4-[4-(2-pyridyl)piperazino]butyl]-1,4-benzoxazepine-3,5-quinone hydrochloride Formula: C22H27ClN4O3 MolecularWeight: 430.92778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)COC3=CC=CC=C3C2=O)C4=CC=CC=N4.Cl

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)COC3=CC=CC=C3C2=O)C4=CC=CC=N4.Cl

InChI

InChI=1S/C22H26N4O3.ClH/c27-21-17-29-19-8-2-1-7-18(19)22(28)26(21)12-6-5-11-24-13-15-25(16-14-24)20-9-3-4-10-23-20;/h1-4,7-10H,5-6,11-17H2;1H