3-[[3-(aminomethyl)cyclohexyl]methyl]-7-chloranyl-2-(3,4-dimethoxyphenyl)quinazolin-4-one

Systemtic Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-7-chloranyl-2-(3,4-dimethoxyphenyl)quinazolin-4-one Openeye Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-7-chloro-2-(3,4-dimethoxyphenyl)quinazolin-4-one CAS Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-7-chloro-2-(3,4-dimethoxyphenyl)-4-quinazolinone IUPAC Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-7-chloro-2-(3,4-dimethoxyphenyl)quinazolin-4-one Traditional Name: 3-[[3-(aminomethyl)cyclohexyl]methyl]-7-chloro-2-(3,4-dimethoxyphenyl)quinazolin-4-one Formula: C24H28ClN3O3 MolecularWeight: 441.95042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4CCCC(C4)CN)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4CCCC(C4)CN)OC

InChI

InChI=1S/C24H28ClN3O3/c1-30-21-9-6-17(11-22(21)31-2)23-27-20-12-18(25)7-8-19(20)24(29)28(23)14-16-5-3-4-15(10-16)13-26/h6-9,11-12,15-16H,3-5,10,13-14,26H2,1-2H3