N-(4-azanylcyclohexyl)-1-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-3-(4-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-3-(4-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-3-[(4-fluorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(5-tert-butyl-2-methylpyrazole-3-carbonyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-2-carboxamide Formula: C27H37FN6O3 MolecularWeight: 512.619483

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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)C4=CC=C(C=C4)F)C

Isomeric SMILES

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

InChI

InChI=1S/C27H37FN6O3/c1-27(2,3)22-16-21(32(4)31-22)26(37)34-15-5-14-33(25(36)17-6-8-18(28)9-7-17)24(34)23(35)30-20-12-10-19(29)11-13-20/h6-9,16,19-20,24H,5,10-15,29H2,1-4H3,(H,30,35)