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

Systemtic Name: 7-ethyl-2-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-4H-1,3,4-benzotriazepine Openeye Name: 7-ethyl-2-(4-fluorophenyl)-5-(5-methyl-2-furyl)-4H-1,3,4-benzotriazepine CAS Name: 7-ethyl-2-(4-fluorophenyl)-5-(5-methyl-2-furanyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-ethyl-2-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-4H-1,3,4-benzotriazepine Traditional Name: 7-ethyl-2-(4-fluorophenyl)-5-(5-methyl-2-furyl)-4H-1,3,4-benzotriazepine Formula: C21H18FN3O MolecularWeight: 347.385523

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)F)C4=CC=C(O4)C

Isomeric SMILES

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)F)C4=CC=C(O4)C

InChI

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