3-[[3-(aminomethyl)cyclohexyl]methyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one

Systemtic Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one Openeye Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one CAS Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)-4-quinazolinone IUPAC Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one Traditional Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)CC3CCCC(C3)CN)C4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)CC3CCCC(C3)CN)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C26H33N3O4/c1-16-8-9-21-20(10-16)26(30)29(15-18-7-5-6-17(11-18)14-27)25(28-21)19-12-22(31-2)24(33-4)23(13-19)32-3/h8-10,12-13,17-18H,5-7,11,14-15,27H2,1-4H3