3-(3-azanylpropyl)-2-[4-(2,4-dimethoxyphenyl)phenyl]-6-methoxy-quinazolin-4-one

Systemtic Name: 3-(3-azanylpropyl)-2-[4-(2,4-dimethoxyphenyl)phenyl]-6-methoxy-quinazolin-4-one Openeye Name: 3-(3-aminopropyl)-2-[4-(2,4-dimethoxyphenyl)phenyl]-6-methoxy-quinazolin-4-one CAS Name: 3-(3-aminopropyl)-2-[4-(2,4-dimethoxyphenyl)phenyl]-6-methoxy-4-quinazolinone IUPAC Name: 3-(3-aminopropyl)-2-[4-(2,4-dimethoxyphenyl)phenyl]-6-methoxyquinazolin-4-one Traditional Name: 3-(3-aminopropyl)-2-[4-(2,4-dimethoxyphenyl)phenyl]-6-methoxy-quinazolin-4-one Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N(C2=O)CCCN)C3=CC=C(C=C3)C4=C(C=C(C=C4)OC)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N(C2=O)CCCN)C3=CC=C(C=C3)C4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C26H27N3O4/c1-31-19-10-12-23-22(15-19)26(30)29(14-4-13-27)25(28-23)18-7-5-17(6-8-18)21-11-9-20(32-2)16-24(21)33-3/h5-12,15-16H,4,13-14,27H2,1-3H3