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

Systemtic Name: 4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Formula: C26H29FN6O3 MolecularWeight: 492.545263

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC(=CC=C4)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC(=CC=C4)F

InChI

InChI=1S/C26H29FN6O3/c1-3-24-23(17-19-6-4-7-20(27)16-19)25(29-18(2)28-24)31-12-5-13-32(15-14-31)26(34)30-21-8-10-22(11-9-21)33(35)36/h4,6-11,16H,3,5,12-15,17H2,1-2H3,(H,30,34)