3-[4-(diphenylmethyl)piperazin-1-yl]-5-methyl-pyridazino[3,4-b][1,4]benzoxazin-1-ium

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-1-yl]-5-methyl-pyridazino[3,4-b][1,4]benzoxazin-1-ium Openeye Name: 3-(4-benzhydrylpiperazin-1-yl)-5-methyl-pyridazino[3,4-b][1,4]benzoxazin-1-ium CAS Name: 3-[4-(diphenylmethyl)-1-piperazinyl]-5-methylpyridazino[3,4-b][1,4]benzoxazin-1-ium IUPAC Name: 3-(4-benzhydrylpiperazin-1-yl)-5-methylpyridazino[3,4-b][1,4]benzoxazin-1-ium Traditional Name: 3-(4-benzhydrylpiperazino)-5-methyl-pyridazino[3,4-b][1,4]benzoxazin-1-ium Formula: C28H28N5O+ MolecularWeight: 450.55482

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2OC3=[NH+]N=C(C=C31)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CN1C2=CC=CC=C2OC3=[NH+]N=C(C=C31)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C28H27N5O/c1-31-23-14-8-9-15-25(23)34-28-24(31)20-26(29-30-28)32-16-18-33(19-17-32)27(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,20,27H,16-19H2,1H3/p+1