7-bromanyl-2-(4-ethylphenyl)-5-(5-methylfuran-2-yl)-4H-1,3,4-benzotriazepine

Systemtic Name: 7-bromanyl-2-(4-ethylphenyl)-5-(5-methylfuran-2-yl)-4H-1,3,4-benzotriazepine Openeye Name: 7-bromo-2-(4-ethylphenyl)-5-(5-methyl-2-furyl)-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-2-(4-ethylphenyl)-5-(5-methyl-2-furanyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-2-(4-ethylphenyl)-5-(5-methylfuran-2-yl)-4H-1,3,4-benzotriazepine Traditional Name: 7-bromo-2-(4-ethylphenyl)-5-(5-methyl-2-furyl)-4H-1,3,4-benzotriazepine Formula: C21H18BrN3O MolecularWeight: 408.29112

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC=C(O4)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC=C(O4)C

InChI

InChI=1S/C21H18BrN3O/c1-3-14-5-7-15(8-6-14)21-23-18-10-9-16(22)12-17(18)20(24-25-21)19-11-4-13(2)26-19/h4-12,24H,3H2,1-2H3