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

Systemtic Name: 2-(4-tert-butylphenyl)-5-(3,4-dimethoxyphenyl)-7-methoxy-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-tert-butylphenyl)-5-(3,4-dimethoxyphenyl)-7-methoxy-4H-1,3,4-benzotriazepine CAS Name: 2-(4-tert-butylphenyl)-5-(3,4-dimethoxyphenyl)-7-methoxy-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-tert-butylphenyl)-5-(3,4-dimethoxyphenyl)-7-methoxy-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-tert-butylphenyl)-5-(3,4-dimethoxyphenyl)-7-methoxy-4H-1,3,4-benzotriazepine Formula: C27H29N3O3 MolecularWeight: 443.53746

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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)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)OC)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H29N3O3/c1-27(2,3)19-10-7-17(8-11-19)26-28-22-13-12-20(31-4)16-21(22)25(29-30-26)18-9-14-23(32-5)24(15-18)33-6/h7-16,29H,1-6H3