2-(4-chlorophenyl)-7-ethoxy-5-phenyl-4H-1,3,4-benzotriazepin-1-ium

Systemtic Name: 2-(4-chlorophenyl)-7-ethoxy-5-phenyl-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 2-(4-chlorophenyl)-7-ethoxy-5-phenyl-4H-1,3,4-benzotriazepin-1-ium CAS Name: 2-(4-chlorophenyl)-7-ethoxy-5-phenyl-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 2-(4-chlorophenyl)-7-ethoxy-5-phenyl-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 2-(4-chlorophenyl)-7-ethoxy-5-phenyl-4H-1,3,4-benzotriazepin-1-ium Formula: C22H19ClN3O+ MolecularWeight: 376.85876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(NN=C([NH+]=C2C=C1)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(NN=C([NH+]=C2C=C1)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H18ClN3O/c1-2-27-18-12-13-20-19(14-18)21(15-6-4-3-5-7-15)25-26-22(24-20)16-8-10-17(23)11-9-16/h3-14,25H,2H2,1H3/p+1