N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexanecarboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(dimethylamino)-2-quinazolinyl]amino]-1-cyclohexanecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide Traditional Name: 4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-piperonyl-cyclohexanecarboxamide Formula: C25H29N5O3 MolecularWeight: 447.52946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC2=CC=CC=C21)NC3CCC(CC3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN(C)C1=NC(=NC2=CC=CC=C21)NC3CCC(CC3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H29N5O3/c1-30(2)23-19-5-3-4-6-20(19)28-25(29-23)27-18-10-8-17(9-11-18)24(31)26-14-16-7-12-21-22(13-16)33-15-32-21/h3-7,12-13,17-18H,8-11,14-15H2,1-2H3,(H,26,31)(H,27,28,29)