2-(4-ethoxyphenyl)-5-(4-nitrophenyl)-7-propan-2-yl-4H-1,3,4-benzotriazepin-1-ium

Systemtic Name: 2-(4-ethoxyphenyl)-5-(4-nitrophenyl)-7-propan-2-yl-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 2-(4-ethoxyphenyl)-7-isopropyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium CAS Name: 2-(4-ethoxyphenyl)-5-(4-nitrophenyl)-7-propan-2-yl-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 2-(4-ethoxyphenyl)-5-(4-nitrophenyl)-7-propan-2-yl-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 7-isopropyl-5-(4-nitrophenyl)-2-p-phenetyl-4H-1,3,4-benzotriazepin-1-ium Formula: C25H25N4O3+ MolecularWeight: 429.491

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=[NH+]2)C(C)C)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=[NH+]2)C(C)C)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H24N4O3/c1-4-32-21-12-7-18(8-13-21)25-26-23-14-9-19(16(2)3)15-22(23)24(27-28-25)17-5-10-20(11-6-17)29(30)31/h5-16,27H,4H2,1-3H3/p+1