7-chloranyl-2-(4-ethoxyphenyl)-5-(5-methylfuran-2-yl)-4H-1,3,4-benzotriazepine

Systemtic Name: 7-chloranyl-2-(4-ethoxyphenyl)-5-(5-methylfuran-2-yl)-4H-1,3,4-benzotriazepine Openeye Name: 7-chloro-2-(4-ethoxyphenyl)-5-(5-methyl-2-furyl)-4H-1,3,4-benzotriazepine CAS Name: 7-chloro-2-(4-ethoxyphenyl)-5-(5-methyl-2-furanyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-chloro-2-(4-ethoxyphenyl)-5-(5-methylfuran-2-yl)-4H-1,3,4-benzotriazepine Traditional Name: 7-chloro-5-(5-methyl-2-furyl)-2-p-phenetyl-4H-1,3,4-benzotriazepine Formula: C21H18ClN3O2 MolecularWeight: 379.83952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Cl)C4=CC=C(O4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Cl)C4=CC=C(O4)C

InChI

InChI=1S/C21H18ClN3O2/c1-3-26-16-8-5-14(6-9-16)21-23-18-10-7-15(22)12-17(18)20(24-25-21)19-11-4-13(2)27-19/h4-12,24H,3H2,1-2H3