2-(4-tert-butylphenyl)-7-methoxy-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-tert-butylphenyl)-7-methoxy-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-tert-butylphenyl)-7-methoxy-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-tert-butylphenyl)-7-methoxy-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-tert-butylphenyl)-7-methoxy-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-tert-butylphenyl)-7-methoxy-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)OC)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)OC)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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