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

Systemtic Name: 2-chloranyl-13-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]-12H-benzo[d][1,3,7]benzotriazonine Openeye Name: 2-chloro-13-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]-12H-benzo[d][1,3,7]benzotriazonine CAS Name: 2-chloro-13-phenyl-6-[(4-phenyl-1-piperazinyl)methyl]-12H-benzo[d][1,3,7]benzotriazonine IUPAC Name: 2-chloro-13-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]-12H-benzo[d][1,3,7]benzotriazonine Traditional Name: 2-chloro-13-phenyl-6-[(4-phenylpiperazino)methyl]-12H-benzo[d][1,3,7]benzotriazonine Formula: C31H28ClN5 MolecularWeight: 506.04052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3NC(=C4C=C(C=CC4=N2)Cl)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3NC(=C4C=C(C=CC4=N2)Cl)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H28ClN5/c32-24-15-16-27-26(21-24)31(23-9-3-1-4-10-23)35-29-14-8-7-13-28(29)34-30(33-27)22-36-17-19-37(20-18-36)25-11-5-2-6-12-25/h1-16,21,35H,17-20,22H2