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

Systemtic Name: 2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-6-iodanyl-4-piperidin-1-yl-quinazoline Openeye Name: 2-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-6-iodo-4-(1-piperidyl)quinazoline CAS Name: 2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-6-iodo-4-(1-piperidinyl)quinazoline IUPAC Name: 2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-6-iodo-4-piperidin-1-ylquinazoline Traditional Name: 2-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-6-iodo-4-piperidino-quinazoline Formula: C23H24IN3O2 MolecularWeight: 501.36003

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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)N4CCCCC4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)/C=C/C2=NC3=C(C=C(C=C3)I)C(=N2)N4CCCCC4)OC

InChI

InChI=1S/C23H24IN3O2/c1-28-18-12-16(13-19(15-18)29-2)6-9-22-25-21-8-7-17(24)14-20(21)23(26-22)27-10-4-3-5-11-27/h6-9,12-15H,3-5,10-11H2,1-2H3/b9-6+