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

Systemtic Name: 8-chloranyl-4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 8-chloro-4-[4-[4-(2-pyridyl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione CAS Name: 8-chloro-4-[4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 8-chloro-4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 8-chloro-4-[4-[4-(2-pyridyl)piperazino]butyl]-1,4-benzoxazepine-3,5-quinone Formula: C22H25ClN4O3 MolecularWeight: 428.9119

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)COC3=C(C2=O)C=CC(=C3)Cl)C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)COC3=C(C2=O)C=CC(=C3)Cl)C4=CC=CC=N4

InChI

InChI=1S/C22H25ClN4O3/c23-17-6-7-18-19(15-17)30-16-21(28)27(22(18)29)10-4-3-9-25-11-13-26(14-12-25)20-5-1-2-8-24-20/h1-2,5-8,15H,3-4,9-14,16H2