5-(4-butoxyphenyl)-2-(4-chlorophenyl)-7-ethyl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(4-butoxyphenyl)-2-(4-chlorophenyl)-7-ethyl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-2-(4-chlorophenyl)-7-ethyl-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-2-(4-chlorophenyl)-7-ethyl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-2-(4-chlorophenyl)-7-ethyl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-2-(4-chlorophenyl)-7-ethyl-4H-1,3,4-benzotriazepine Formula: C26H26ClN3O MolecularWeight: 431.95714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)Cl)CC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)Cl)CC

InChI

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