3-[[3-(aminomethyl)phenyl]methyl]-6-chloranyl-2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]quinazolin-4-one

Systemtic Name: 3-[[3-(aminomethyl)phenyl]methyl]-6-chloranyl-2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]quinazolin-4-one Openeye Name: 3-[[3-(aminomethyl)phenyl]methyl]-6-chloro-2-[(E)-2-(2,5-dimethoxyphenyl)vinyl]quinazolin-4-one CAS Name: 3-[[3-(aminomethyl)phenyl]methyl]-6-chloro-2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-4-quinazolinone IUPAC Name: 3-[[3-(aminomethyl)phenyl]methyl]-6-chloro-2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]quinazolin-4-one Traditional Name: 3-[3-(aminomethyl)benzyl]-6-chloro-2-[(E)-2-(2,5-dimethoxyphenyl)vinyl]quinazolin-4-one Formula: C26H24ClN3O3 MolecularWeight: 461.94006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=CC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC4=CC(=CC=C4)CN

Isomeric SMILES

COC1=CC(=C(C=C1)OC)/C=C/C2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC4=CC(=CC=C4)CN

InChI

InChI=1S/C26H24ClN3O3/c1-32-21-8-10-24(33-2)19(13-21)6-11-25-29-23-9-7-20(27)14-22(23)26(31)30(25)16-18-5-3-4-17(12-18)15-28/h3-14H,15-16,28H2,1-2H3/b11-6+