4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide Formula: C26H30FN5O MolecularWeight: 447.547703

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=CC=C3F)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=CC=C3F)CC4=CC=CC=C4

InChI

InChI=1S/C26H30FN5O/c1-3-23-21(18-20-10-5-4-6-11-20)25(29-19(2)28-23)31-14-9-15-32(17-16-31)26(33)30-24-13-8-7-12-22(24)27/h4-8,10-13H,3,9,14-18H2,1-2H3,(H,30,33)