N-(2-cyanoethyl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-(phenylmethyl)pyrimidine-5-carboxamide

Systemtic Name: N-(2-cyanoethyl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-(phenylmethyl)pyrimidine-5-carboxamide Openeye Name: N-benzyl-N-(2-cyanoethyl)-4-(2-fluorophenyl)-2-morpholino-pyrimidine-5-carboxamide CAS Name: N-(2-cyanoethyl)-4-(2-fluorophenyl)-2-(4-morpholinyl)-N-(phenylmethyl)-5-pyrimidinecarboxamide IUPAC Name: N-benzyl-N-(2-cyanoethyl)-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide Traditional Name: N-benzyl-N-(2-cyanoethyl)-4-(2-fluorophenyl)-2-morpholino-pyrimidine-5-carboxamide Formula: C25H24FN5O2 MolecularWeight: 445.488763

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C(C(=N2)C3=CC=CC=C3F)C(=O)N(CCC#N)CC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=NC=C(C(=N2)C3=CC=CC=C3F)C(=O)N(CCC#N)CC4=CC=CC=C4

InChI

InChI=1S/C25H24FN5O2/c26-22-10-5-4-9-20(22)23-21(17-28-25(29-23)30-13-15-33-16-14-30)24(32)31(12-6-11-27)18-19-7-2-1-3-8-19/h1-5,7-10,17H,6,12-16,18H2