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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)C(C)(C)C)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)C(C)(C)C)OC

InChI

InChI=1S/C27H29N3O2/c1-6-32-21-13-9-18(10-14-21)25-23-17-22(31-5)15-16-24(23)28-26(30-29-25)19-7-11-20(12-8-19)27(2,3)4/h7-17,29H,6H2,1-5H3