4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]cyclohexane-1-carboxamide

Systemtic Name: 4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]cyclohexane-1-carboxamide Openeye Name: 4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-[(4-hydroxy-3-methoxy-phenyl)methyl]cyclohexanecarboxamide CAS Name: 4-[[4-(dimethylamino)-2-quinazolinyl]amino]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-1-cyclohexanecarboxamide IUPAC Name: 4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-[(4-hydroxy-3-methoxyphenyl)methyl]cyclohexane-1-carboxamide Traditional Name: 4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-vanillyl-cyclohexanecarboxamide Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC2=CC=CC=C21)NC3CCC(CC3)C(=O)NCC4=CC(=C(C=C4)O)OC

Isomeric SMILES

CN(C)C1=NC(=NC2=CC=CC=C21)NC3CCC(CC3)C(=O)NCC4=CC(=C(C=C4)O)OC

InChI

InChI=1S/C25H31N5O3/c1-30(2)23-19-6-4-5-7-20(19)28-25(29-23)27-18-11-9-17(10-12-18)24(32)26-15-16-8-13-21(31)22(14-16)33-3/h4-8,13-14,17-18,31H,9-12,15H2,1-3H3,(H,26,32)(H,27,28,29)