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

Systemtic Name: 7-nitro-4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 7-nitro-4-[4-[4-(2-pyridyl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione CAS Name: 7-nitro-4-[4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 7-nitro-4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 7-nitro-4-[4-[4-(2-pyridyl)piperazino]butyl]-1,4-benzoxazepine-3,5-quinone Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O5/c28-21-16-32-19-7-6-17(27(30)31)15-18(19)22(29)26(21)10-4-3-9-24-11-13-25(14-12-24)20-5-1-2-8-23-20/h1-2,5-8,15H,3-4,9-14,16H2