1-(4-methylpiperazin-1-yl)-7-nitro-10-(phenylmethyl)pyridazino[4,5-b][1,4]benzoxazine

Systemtic Name: 1-(4-methylpiperazin-1-yl)-7-nitro-10-(phenylmethyl)pyridazino[4,5-b][1,4]benzoxazine Openeye Name: 10-benzyl-1-(4-methylpiperazin-1-yl)-7-nitro-pyridazino[4,5-b][1,4]benzoxazine CAS Name: 1-(4-methyl-1-piperazinyl)-7-nitro-10-(phenylmethyl)pyridazino[4,5-b][1,4]benzoxazine IUPAC Name: 10-benzyl-1-(4-methylpiperazin-1-yl)-7-nitropyridazino[4,5-b][1,4]benzoxazine Traditional Name: 10-benzyl-1-(4-methylpiperazino)-7-nitro-pyridazino[4,5-b][1,4]benzoxazine Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C3C(=CN=N2)OC4=C(N3CC5=CC=CC=C5)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C3C(=CN=N2)OC4=C(N3CC5=CC=CC=C5)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O3/c1-25-9-11-26(12-10-25)22-21-20(14-23-24-22)31-19-13-17(28(29)30)7-8-18(19)27(21)15-16-5-3-2-4-6-16/h2-8,13-14H,9-12,15H2,1H3