2-(4-tert-butylphenyl)-5-(3,4-dimethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-tert-butylphenyl)-5-(3,4-dimethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-tert-butylphenyl)-5-(3,4-dimethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine CAS Name: 2-(4-tert-butylphenyl)-5-(3,4-dimethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-tert-butylphenyl)-5-(3,4-dimethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-tert-butylphenyl)-5-(3,4-dimethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine Formula: C27H29N3O2 MolecularWeight: 427.53806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C(C)(C)C)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C(C)(C)C)C4=CC(=C(C=C4)OC)OC

InChI

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