4-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)-8-methyl-1H-1,3,5-benzotriazepine

Systemtic Name: 4-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)-8-methyl-1H-1,3,5-benzotriazepine Openeye Name: 4-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)-8-methyl-1H-1,3,5-benzotriazepine CAS Name: 4-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)-8-methyl-1H-1,3,5-benzotriazepine IUPAC Name: 4-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)-8-methyl-1H-1,3,5-benzotriazepine Traditional Name: 4-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)-8-methyl-1H-1,3,5-benzotriazepine Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H29N3O2/c1-17-7-13-21-22(15-17)29-26(19-10-14-23(31-5)24(16-19)32-6)30-25(28-21)18-8-11-20(12-9-18)27(2,3)4/h7-16H,1-6H3,(H,28,29,30)