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

Systemtic Name: 4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-[[3-(propanoylamino)phenyl]methyl]cyclohexane-1-carboxamide Openeye Name: 4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-[[3-(propanoylamino)phenyl]methyl]cyclohexanecarboxamide CAS Name: 4-[[4-(dimethylamino)-2-quinazolinyl]amino]-N-[[3-(1-oxopropylamino)phenyl]methyl]-1-cyclohexanecarboxamide IUPAC Name: 4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-[[3-(propanoylamino)phenyl]methyl]cyclohexane-1-carboxamide Traditional Name: 4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-(3-propionamidobenzyl)cyclohexanecarboxamide Formula: C27H34N6O2 MolecularWeight: 474.59786

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)CNC(=O)C2CCC(CC2)NC3=NC4=CC=CC=C4C(=N3)N(C)C

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)CNC(=O)C2CCC(CC2)NC3=NC4=CC=CC=C4C(=N3)N(C)C

InChI

InChI=1S/C27H34N6O2/c1-4-24(34)29-21-9-7-8-18(16-21)17-28-26(35)19-12-14-20(15-13-19)30-27-31-23-11-6-5-10-22(23)25(32-27)33(2)3/h5-11,16,19-20H,4,12-15,17H2,1-3H3,(H,28,35)(H,29,34)(H,30,31,32)