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

Systemtic Name: 2-(4-tert-butylphenyl)-5-(4-ethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-tert-butylphenyl)-5-(4-ethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine CAS Name: 2-(4-tert-butylphenyl)-5-(4-ethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-tert-butylphenyl)-5-(4-ethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-tert-butylphenyl)-7-methyl-5-p-phenetyl-4H-1,3,4-benzotriazepine Formula: C27H29N3O MolecularWeight: 411.53866

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O/c1-6-31-22-14-10-19(11-15-22)25-23-17-18(2)7-16-24(23)28-26(30-29-25)20-8-12-21(13-9-20)27(3,4)5/h7-17,29H,6H2,1-5H3