8-ethyl-4-(4-fluorophenyl)-2-(5-methylfuran-2-yl)-1H-1,3,5-benzotriazepine

Systemtic Name: 8-ethyl-4-(4-fluorophenyl)-2-(5-methylfuran-2-yl)-1H-1,3,5-benzotriazepine Openeye Name: 8-ethyl-4-(4-fluorophenyl)-2-(5-methyl-2-furyl)-1H-1,3,5-benzotriazepine CAS Name: 8-ethyl-4-(4-fluorophenyl)-2-(5-methyl-2-furanyl)-1H-1,3,5-benzotriazepine IUPAC Name: 8-ethyl-4-(4-fluorophenyl)-2-(5-methylfuran-2-yl)-1H-1,3,5-benzotriazepine Traditional Name: 8-ethyl-4-(4-fluorophenyl)-2-(5-methyl-2-furyl)-1H-1,3,5-benzotriazepine Formula: C21H18FN3O MolecularWeight: 347.385523

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(O3)C)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(O3)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H18FN3O/c1-3-14-5-10-17-18(12-14)24-21(19-11-4-13(2)26-19)25-20(23-17)15-6-8-16(22)9-7-15/h4-12H,3H2,1-2H3,(H,23,24,25)