6-(4-methylpiperazin-1-yl)-8-nitro-benzo[b][1,4]benzoxazepine

Systemtic Name: 6-(4-methylpiperazin-1-yl)-8-nitro-benzo[b][1,4]benzoxazepine Openeye Name: 6-(4-methylpiperazin-1-yl)-8-nitro-benzo[b][1,4]benzoxazepine CAS Name: 6-(4-methyl-1-piperazinyl)-8-nitrobenzo[b][1,4]benzoxazepine IUPAC Name: 6-(4-methylpiperazin-1-yl)-8-nitrobenzo[b][1,4]benzoxazepine Traditional Name: 6-(4-methylpiperazino)-8-nitro-benzo[b][1,4]benzoxazepine Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O3/c1-20-8-10-21(11-9-20)18-14-12-13(22(23)24)6-7-16(14)25-17-5-3-2-4-15(17)19-18/h2-7,12H,8-11H2,1H3