2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-6-iodanyl-4-pyrrolidin-1-yl-quinazoline

Systemtic Name: 2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-6-iodanyl-4-pyrrolidin-1-yl-quinazoline Openeye Name: 2-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-6-iodo-4-pyrrolidin-1-yl-quinazoline CAS Name: 2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-6-iodo-4-(1-pyrrolidinyl)quinazoline IUPAC Name: 2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-6-iodo-4-pyrrolidin-1-ylquinazoline Traditional Name: 2-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-6-iodo-4-pyrrolidino-quinazoline Formula: C22H22IN3O2 MolecularWeight: 487.33345

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C=CC2=NC3=C(C=C(C=C3)I)C(=N2)N4CCCC4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)/C=C/C2=NC3=C(C=C(C=C3)I)C(=N2)N4CCCC4)OC

InChI

InChI=1S/C22H22IN3O2/c1-27-17-11-15(12-18(14-17)28-2)5-8-21-24-20-7-6-16(23)13-19(20)22(25-21)26-9-3-4-10-26/h5-8,11-14H,3-4,9-10H2,1-2H3/b8-5+