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

Systemtic Name: 8-methyl-4-[4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 8-methyl-4-[4-[4-(3-nitro-2-pyridyl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione CAS Name: 8-methyl-4-[4-[4-(3-nitro-2-pyridinyl)-1-piperazinyl]butyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 8-methyl-4-[4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 8-methyl-4-[4-[4-(3-nitro-2-pyridyl)piperazino]butyl]-1,4-benzoxazepine-3,5-quinone Formula: C23H27N5O5 MolecularWeight: 453.49098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C(=O)CO2)CCCCN3CCN(CC3)C4=C(C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C(=O)CO2)CCCCN3CCN(CC3)C4=C(C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O5/c1-17-6-7-18-20(15-17)33-16-21(29)27(23(18)30)10-3-2-9-25-11-13-26(14-12-25)22-19(28(31)32)5-4-8-24-22/h4-8,15H,2-3,9-14,16H2,1H3