N2-(4-azanylcyclohexyl)-3-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-N1-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(4-azanylcyclohexyl)-3-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-N1-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(4-aminocyclohexyl)-3-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-N1-(3-fluorophenyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-3-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-N1-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-3-(5-tert-butyl-2-methylpyrazole-3-carbonyl)-1-N-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(4-aminocyclohexyl)-3-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-N-(3-fluorophenyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C27H38FN7O3 MolecularWeight: 527.634123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)NC4=CC(=CC=C4)F)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)NC4=CC(=CC=C4)F)C

InChI

InChI=1S/C27H38FN7O3/c1-27(2,3)22-16-21(33(4)32-22)25(37)34-13-6-14-35(26(38)31-20-8-5-7-17(28)15-20)24(34)23(36)30-19-11-9-18(29)10-12-19/h5,7-8,15-16,18-19,24H,6,9-14,29H2,1-4H3,(H,30,36)(H,31,38)