N2-(2-azanylethyl)-3-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-N1-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(2-azanylethyl)-3-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-N1-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-3-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-N1-(3-fluorophenyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-3-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-N1-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-3-(5-tert-butyl-2-methylpyrazole-3-carbonyl)-1-N-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-3-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-N-(3-fluorophenyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C23H32FN7O3 MolecularWeight: 473.543683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)NC3=CC(=CC=C3)F)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)NC3=CC(=CC=C3)F)C

InChI

InChI=1S/C23H32FN7O3/c1-23(2,3)18-14-17(29(4)28-18)21(33)30-11-6-12-31(20(30)19(32)26-10-9-25)22(34)27-16-8-5-7-15(24)13-16/h5,7-8,13-14,20H,6,9-12,25H2,1-4H3,(H,26,32)(H,27,34)