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

Systemtic Name: 5-(4-methoxyphenyl)-2-(4-methylphenyl)-7-propan-2-yl-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 7-isopropyl-5-(4-methoxyphenyl)-2-(p-tolyl)-4H-1,3,4-benzotriazepin-1-ium CAS Name: 5-(4-methoxyphenyl)-2-(4-methylphenyl)-7-propan-2-yl-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 5-(4-methoxyphenyl)-2-(4-methylphenyl)-7-propan-2-yl-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 7-isopropyl-5-(4-methoxyphenyl)-2-(p-tolyl)-4H-1,3,4-benzotriazepin-1-ium Formula: C25H26N3O+ MolecularWeight: 384.49344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=[NH+]2)C(C)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=[NH+]2)C(C)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H25N3O/c1-16(2)20-11-14-23-22(15-20)24(18-9-12-21(29-4)13-10-18)27-28-25(26-23)19-7-5-17(3)6-8-19/h5-16,27H,1-4H3/p+1