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

Systemtic Name: 3-[[3-(aminomethyl)phenyl]methyl]-2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-6-methoxy-quinazolin-4-one Openeye Name: 3-[[3-(aminomethyl)phenyl]methyl]-2-[(E)-2-(2,5-dimethoxyphenyl)vinyl]-6-methoxy-quinazolin-4-one CAS Name: 3-[[3-(aminomethyl)phenyl]methyl]-2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-6-methoxy-4-quinazolinone IUPAC Name: 3-[[3-(aminomethyl)phenyl]methyl]-2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-6-methoxyquinazolin-4-one Traditional Name: 3-[3-(aminomethyl)benzyl]-2-[(E)-2-(2,5-dimethoxyphenyl)vinyl]-6-methoxy-quinazolin-4-one Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O4/c1-32-21-9-11-25(34-3)20(14-21)7-12-26-29-24-10-8-22(33-2)15-23(24)27(31)30(26)17-19-6-4-5-18(13-19)16-28/h4-15H,16-17,28H2,1-3H3/b12-7+