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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)COC3=CC=CC=C3C2=O)C4=C(C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)COC3=CC=CC=C3C2=O)C4=C(C=CC=N4)[N+](=O)[O-]

InChI

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