2-(4-ethylphenyl)-5-(4-fluorophenyl)-7-methoxy-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-ethylphenyl)-5-(4-fluorophenyl)-7-methoxy-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-ethylphenyl)-5-(4-fluorophenyl)-7-methoxy-4H-1,3,4-benzotriazepine CAS Name: 2-(4-ethylphenyl)-5-(4-fluorophenyl)-7-methoxy-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-ethylphenyl)-5-(4-fluorophenyl)-7-methoxy-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-ethylphenyl)-5-(4-fluorophenyl)-7-methoxy-4H-1,3,4-benzotriazepine Formula: C23H20FN3O MolecularWeight: 373.422803

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)OC)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)OC)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H20FN3O/c1-3-15-4-6-17(7-5-15)23-25-21-13-12-19(28-2)14-20(21)22(26-27-23)16-8-10-18(24)11-9-16/h4-14,26H,3H2,1-2H3