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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-3-(3-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-3-(3-fluorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-3-[(3-fluorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(5-tert-butyl-2-methylpyrazole-3-carbonyl)-3-(3-fluorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-3-(3-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(=CC=C4)F)C

Isomeric SMILES

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

InChI

InChI=1S/C27H37FN6O3/c1-27(2,3)22-16-21(32(4)31-22)26(37)34-14-6-13-33(25(36)17-7-5-8-18(28)15-17)24(34)23(35)30-20-11-9-19(29)10-12-20/h5,7-8,15-16,19-20,24H,6,9-14,29H2,1-4H3,(H,30,35)