3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(3,4-dimethoxyphenyl)-6-methoxy-quinazolin-4-one

Systemtic Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(3,4-dimethoxyphenyl)-6-methoxy-quinazolin-4-one Openeye Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(3,4-dimethoxyphenyl)-6-methoxy-quinazolin-4-one CAS Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(3,4-dimethoxyphenyl)-6-methoxy-4-quinazolinone IUPAC Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(3,4-dimethoxyphenyl)-6-methoxyquinazolin-4-one Traditional Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(3,4-dimethoxyphenyl)-6-methoxy-quinazolin-4-one Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N(C2=O)CC3CCCC(C3)CN)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N(C2=O)CC3CCCC(C3)CN)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H31N3O4/c1-30-19-8-9-21-20(13-19)25(29)28(15-17-6-4-5-16(11-17)14-26)24(27-21)18-7-10-22(31-2)23(12-18)32-3/h7-10,12-13,16-17H,4-6,11,14-15,26H2,1-3H3