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

Systemtic Name: 4-(4-tert-butylphenyl)-8-methoxy-2-phenyl-1H-1,3,5-benzotriazepine Openeye Name: 4-(4-tert-butylphenyl)-8-methoxy-2-phenyl-1H-1,3,5-benzotriazepine CAS Name: 4-(4-tert-butylphenyl)-8-methoxy-2-phenyl-1H-1,3,5-benzotriazepine IUPAC Name: 4-(4-tert-butylphenyl)-8-methoxy-2-phenyl-1H-1,3,5-benzotriazepine Traditional Name: 4-(4-tert-butylphenyl)-8-methoxy-2-phenyl-1H-1,3,5-benzotriazepine Formula: C25H25N3O MolecularWeight: 383.4855

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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=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)OC)NC(=N2)C4=CC=CC=C4

InChI

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