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

Systemtic Name: N-(2-azanylethyl)-1-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-3-(4-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-3-[(4-fluorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(5-tert-butyl-2-methylpyrazole-3-carbonyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-2-carboxamide Formula: C23H31FN6O3 MolecularWeight: 458.529043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31FN6O3/c1-23(2,3)18-14-17(28(4)27-18)22(33)30-13-5-12-29(20(30)19(31)26-11-10-25)21(32)15-6-8-16(24)9-7-15/h6-9,14,20H,5,10-13,25H2,1-4H3,(H,26,31)