N-[2-(tert-butylamino)pyrimidin-4-yl]-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide

Systemtic Name: N-[2-(tert-butylamino)pyrimidin-4-yl]-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide Openeye Name: N-[2-(tert-butylamino)pyrimidin-4-yl]-N-(4-piperidylmethyl)-2,3-dihydrobenzofuran-5-carboxamide CAS Name: N-[2-(tert-butylamino)-4-pyrimidinyl]-N-(4-piperidinylmethyl)-2,3-dihydrobenzofuran-5-carboxamide IUPAC Name: N-[2-(tert-butylamino)pyrimidin-4-yl]-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide Traditional Name: N-[2-(tert-butylamino)pyrimidin-4-yl]-N-(4-piperidylmethyl)coumaran-5-carboxamide Formula: C23H31N5O2 MolecularWeight: 409.52454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC=CC(=N1)N(CC2CCNCC2)C(=O)C3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC(C)(C)NC1=NC=CC(=N1)N(CC2CCNCC2)C(=O)C3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C23H31N5O2/c1-23(2,3)27-22-25-12-8-20(26-22)28(15-16-6-10-24-11-7-16)21(29)18-4-5-19-17(14-18)9-13-30-19/h4-5,8,12,14,16,24H,6-7,9-11,13,15H2,1-3H3,(H,25,26,27)