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

Systemtic Name: 8-chloranyl-4-[4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 8-chloro-4-[4-[4-(3-nitro-2-pyridyl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione CAS Name: 8-chloro-4-[4-[4-(3-nitro-2-pyridinyl)-1-piperazinyl]butyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 8-chloro-4-[4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 8-chloro-4-[4-[4-(3-nitro-2-pyridyl)piperazino]butyl]-1,4-benzoxazepine-3,5-quinone Formula: C22H24ClN5O5 MolecularWeight: 473.90946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)COC3=C(C2=O)C=CC(=C3)Cl)C4=C(C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)COC3=C(C2=O)C=CC(=C3)Cl)C4=C(C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H24ClN5O5/c23-16-5-6-17-19(14-16)33-15-20(29)27(22(17)30)9-2-1-8-25-10-12-26(13-11-25)21-18(28(31)32)4-3-7-24-21/h3-7,14H,1-2,8-13,15H2