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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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