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

Systemtic Name: 3-(2-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: 3-(2-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: 3-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: 3-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: 3-(2-bromo-5-methoxy-4-propargyloxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C21H16BrN3O2 MolecularWeight: 422.27464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C=C3Br)OCC#C)OC)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C=C3Br)OCC#C)OC)C#N

InChI

InChI=1S/C21H16BrN3O2/c1-4-7-27-20-11-16(22)14(10-19(20)26-3)9-15(12-23)21-24-17-6-5-13(2)8-18(17)25-21/h1,5-6,8-11H,7H2,2-3H3,(H,24,25)