2-(4-chlorophenyl)-5-(4-methoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepin-1-ium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NN=C([NH+]=C2C=C1)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(NN=C([NH+]=C2C=C1)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OC

InChI

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