5-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-6H-pyridazino[3,4-b][1,4]benzoxazepine

Systemtic Name: 5-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-6H-pyridazino[3,4-b][1,4]benzoxazepine Openeye Name: 5-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-6H-pyridazino[3,4-b][1,4]benzoxazepine CAS Name: 5-(4-methoxyphenyl)-3-(4-methyl-1-piperazinyl)-6H-pyridazino[3,4-b][1,4]benzoxazepine IUPAC Name: 5-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-6H-pyridazino[3,4-b][1,4]benzoxazepine Traditional Name: 5-(4-methoxyphenyl)-3-(4-methylpiperazino)-6H-pyridazino[3,4-b][1,4]benzoxazepine Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NN=C3C(=C2)N(CC4=CC=CC=C4O3)C5=CC=C(C=C5)OC

Isomeric SMILES

CN1CCN(CC1)C2=NN=C3C(=C2)N(CC4=CC=CC=C4O3)C5=CC=C(C=C5)OC

InChI

InChI=1S/C23H25N5O2/c1-26-11-13-27(14-12-26)22-15-20-23(25-24-22)30-21-6-4-3-5-17(21)16-28(20)18-7-9-19(29-2)10-8-18/h3-10,15H,11-14,16H2,1-2H3