(E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-(1-methyl-2-benzimidazolyl)-2-propenenitrile IUPAC Name: (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)acrylonitrile Formula: C21H20ClN3O2 MolecularWeight: 381.8554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C=C(C#N)C2=NC3=CC=CC=C3N2C)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)/C=C(\C#N)/C2=NC3=CC=CC=C3N2C)OC

InChI

InChI=1S/C21H20ClN3O2/c1-13(2)27-20-16(22)10-14(11-19(20)26-4)9-15(12-23)21-24-17-7-5-6-8-18(17)25(21)3/h5-11,13H,1-4H3/b15-9+