4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-N-(3-fluorophenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-N-(3-fluorophenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(3-fluorophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-N-(3-fluorophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-(3-fluorophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(3-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=C3)F)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC(=CC=C3)F)CC4=CC=CC=C4

InChI

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