N-[[4-[[4-[(4-chlorophenyl)amino]quinazolin-2-yl]amino]cyclohexyl]methyl]-N-methyl-benzamide

Systemtic Name: N-[[4-[[4-[(4-chlorophenyl)amino]quinazolin-2-yl]amino]cyclohexyl]methyl]-N-methyl-benzamide Openeye Name: N-[[4-[[4-(4-chloroanilino)quinazolin-2-yl]amino]cyclohexyl]methyl]-N-methyl-benzamide CAS Name: N-[[4-[[4-(4-chloroanilino)-2-quinazolinyl]amino]cyclohexyl]methyl]-N-methylbenzamide IUPAC Name: N-[[4-[[4-(4-chloroanilino)quinazolin-2-yl]amino]cyclohexyl]methyl]-N-methylbenzamide Traditional Name: N-[[4-[[4-(4-chloroanilino)quinazolin-2-yl]amino]cyclohexyl]methyl]-N-methyl-benzamide Formula: C29H30ClN5O MolecularWeight: 500.0344

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCC(CC1)NC2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)Cl)C(=O)C5=CC=CC=C5

Isomeric SMILES

CN(CC1CCC(CC1)NC2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)Cl)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H30ClN5O/c1-35(28(36)21-7-3-2-4-8-21)19-20-11-15-24(16-12-20)32-29-33-26-10-6-5-9-25(26)27(34-29)31-23-17-13-22(30)14-18-23/h2-10,13-14,17-18,20,24H,11-12,15-16,19H2,1H3,(H2,31,32,33,34)