4-(4-tert-butylphenyl)-8-methoxy-2-(4-nitrophenyl)-1H-1,3,5-benzotriazepine

Systemtic Name: 4-(4-tert-butylphenyl)-8-methoxy-2-(4-nitrophenyl)-1H-1,3,5-benzotriazepine Openeye Name: 4-(4-tert-butylphenyl)-8-methoxy-2-(4-nitrophenyl)-1H-1,3,5-benzotriazepine CAS Name: 4-(4-tert-butylphenyl)-8-methoxy-2-(4-nitrophenyl)-1H-1,3,5-benzotriazepine IUPAC Name: 4-(4-tert-butylphenyl)-8-methoxy-2-(4-nitrophenyl)-1H-1,3,5-benzotriazepine Traditional Name: 4-(4-tert-butylphenyl)-8-methoxy-2-(4-nitrophenyl)-1H-1,3,5-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=NC3=C(C=C(C=C3)OC)NC(=N2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)OC)NC(=N2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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