(E)-2-(1H-benzimidazol-2-yl)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acrylonitrile Formula: C19H14ClN3O2 MolecularWeight: 351.78636

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C=C(C#N)C3=NC4=CC=CC=C4N3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3)Cl)OC1

InChI

InChI=1S/C19H14ClN3O2/c20-14-9-12(10-17-18(14)25-7-3-6-24-17)8-13(11-21)19-22-15-4-1-2-5-16(15)23-19/h1-2,4-5,8-10H,3,6-7H2,(H,22,23)/b13-8+