8-chloranyl-2,4-bis(4-methoxyphenyl)-1H-1,3,5-benzotriazepine

Systemtic Name: 8-chloranyl-2,4-bis(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Openeye Name: 8-chloro-2,4-bis(4-methoxyphenyl)-1H-1,3,5-benzotriazepine CAS Name: 8-chloro-2,4-bis(4-methoxyphenyl)-1H-1,3,5-benzotriazepine IUPAC Name: 8-chloro-2,4-bis(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Traditional Name: 8-chloro-2,4-bis(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Formula: C22H18ClN3O2 MolecularWeight: 391.85022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)Cl)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)Cl)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H18ClN3O2/c1-27-17-8-3-14(4-9-17)21-24-19-12-7-16(23)13-20(19)25-22(26-21)15-5-10-18(28-2)11-6-15/h3-13H,1-2H3,(H,24,25,26)