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

Systemtic Name: 2-(4-tert-butylphenyl)-7-chloranyl-5-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-tert-butylphenyl)-7-chloro-5-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-tert-butylphenyl)-7-chloro-5-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-tert-butylphenyl)-7-chloro-5-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-tert-butylphenyl)-7-chloro-5-p-phenetyl-4H-1,3,4-benzotriazepine Formula: C26H26ClN3O MolecularWeight: 431.95714

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClN3O/c1-5-31-21-13-8-17(9-14-21)24-22-16-20(27)12-15-23(22)28-25(30-29-24)18-6-10-19(11-7-18)26(2,3)4/h6-16,29H,5H2,1-4H3