3-(3-chloranyl-5-ethoxy-4-prop-2-ynoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: 3-(3-chloranyl-5-ethoxy-4-prop-2-ynoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: 3-(3-chloro-5-ethoxy-4-prop-2-ynoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: 3-(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: 3-(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: 3-(3-chloro-5-ethoxy-4-propargyloxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C22H18ClN3O2 MolecularWeight: 391.85022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)Cl)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)Cl)OCC#C

InChI

InChI=1S/C22H18ClN3O2/c1-4-8-28-21-17(23)11-15(12-20(21)27-5-2)10-16(13-24)22-25-18-7-6-14(3)9-19(18)26-22/h1,6-7,9-12H,5,8H2,2-3H3,(H,25,26)