7-ethoxy-5-(4-methoxyphenyl)-2-(4-methylphenyl)-4H-1,3,4-benzotriazepin-1-ium

Systemtic Name: 7-ethoxy-5-(4-methoxyphenyl)-2-(4-methylphenyl)-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 7-ethoxy-5-(4-methoxyphenyl)-2-(p-tolyl)-4H-1,3,4-benzotriazepin-1-ium CAS Name: 7-ethoxy-5-(4-methoxyphenyl)-2-(4-methylphenyl)-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 7-ethoxy-5-(4-methoxyphenyl)-2-(4-methylphenyl)-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 7-ethoxy-5-(4-methoxyphenyl)-2-(p-tolyl)-4H-1,3,4-benzotriazepin-1-ium Formula: C24H24N3O2+ MolecularWeight: 386.46626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O2/c1-4-29-20-13-14-22-21(15-20)23(17-9-11-19(28-3)12-10-17)26-27-24(25-22)18-7-5-16(2)6-8-18/h5-15,26H,4H2,1-3H3/p+1