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

Systemtic Name: 7-nitro-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 7-nitro-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione CAS Name: 7-nitro-4-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 7-nitro-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 7-nitro-4-[4-[4-(2-pyrimidyl)piperazino]butyl]-1,4-benzoxazepine-3,5-quinone Formula: C21H24N6O5 MolecularWeight: 440.45246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O5/c28-19-15-32-18-5-4-16(27(30)31)14-17(18)20(29)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3-7,14H,1-2,8-13,15H2