2-chloranyl-6-[(4-methylpiperazin-1-yl)methyl]-13-phenyl-12H-benzo[d][1,3,7]benzotriazonine

Systemtic Name: 2-chloranyl-6-[(4-methylpiperazin-1-yl)methyl]-13-phenyl-12H-benzo[d][1,3,7]benzotriazonine Openeye Name: 2-chloro-6-[(4-methylpiperazin-1-yl)methyl]-13-phenyl-12H-benzo[d][1,3,7]benzotriazonine CAS Name: 2-chloro-6-[(4-methyl-1-piperazinyl)methyl]-13-phenyl-12H-benzo[d][1,3,7]benzotriazonine IUPAC Name: 2-chloro-6-[(4-methylpiperazin-1-yl)methyl]-13-phenyl-12H-benzo[d][1,3,7]benzotriazonine Traditional Name: 2-chloro-6-[(4-methylpiperazino)methyl]-13-phenyl-12H-benzo[d][1,3,7]benzotriazonine Formula: C26H26ClN5 MolecularWeight: 443.97114

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=NC3=CC=CC=C3NC(=C4C=C(C=CC4=N2)Cl)C5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)CC2=NC3=CC=CC=C3NC(=C4C=C(C=CC4=N2)Cl)C5=CC=CC=C5

InChI

InChI=1S/C26H26ClN5/c1-31-13-15-32(16-14-31)18-25-28-22-12-11-20(27)17-21(22)26(19-7-3-2-4-8-19)30-24-10-6-5-9-23(24)29-25/h2-12,17,30H,13-16,18H2,1H3