5-(3,4-dimethoxyphenyl)-7-fluoranyl-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(3,4-dimethoxyphenyl)-7-fluoranyl-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 5-(3,4-dimethoxyphenyl)-7-fluoro-2-(p-tolyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(3,4-dimethoxyphenyl)-7-fluoro-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3,4-dimethoxyphenyl)-7-fluoro-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 5-(3,4-dimethoxyphenyl)-7-fluoro-2-(p-tolyl)-4H-1,3,4-benzotriazepine Formula: C23H20FN3O2 MolecularWeight: 389.422203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)F)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)F)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C23H20FN3O2/c1-14-4-6-15(7-5-14)23-25-19-10-9-17(24)13-18(19)22(26-27-23)16-8-11-20(28-2)21(12-16)29-3/h4-13,26H,1-3H3