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

Systemtic Name: 5-(4-butoxyphenyl)-2-(4-chlorophenyl)-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-2-(4-chlorophenyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-2-(4-chlorophenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-2-(4-chlorophenyl)-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-2-(4-chlorophenyl)-4H-1,3,4-benzotriazepine Formula: C24H22ClN3O MolecularWeight: 403.90398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClN3O/c1-2-3-16-29-20-14-10-17(11-15-20)23-21-6-4-5-7-22(21)26-24(28-27-23)18-8-12-19(25)13-9-18/h4-15,27H,2-3,16H2,1H3