(5-methyl-2-propan-2-yl-cyclohexyl) 2-(2-azanylethylcarbamoyl)-3-(4-fluorophenyl)carbonyl-1,3-diazinane-1-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-(2-azanylethylcarbamoyl)-3-(4-fluorophenyl)carbonyl-1,3-diazinane-1-carboxylate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(2-aminoethylcarbamoyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-1-carboxylate CAS Name: 2-[(2-aminoethylamino)-oxomethyl]-3-[(4-fluorophenyl)-oxomethyl]-1,3-diazinane-1-carboxylic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-(2-aminoethylcarbamoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-1-carboxylate Traditional Name: 2-(2-aminoethylcarbamoyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-1-carboxylic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C25H37FN4O4 MolecularWeight: 476.584083

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=CC=C(C=C3)F)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=CC=C(C=C3)F)C(C)C

InChI

InChI=1S/C25H37FN4O4/c1-16(2)20-10-5-17(3)15-21(20)34-25(33)30-14-4-13-29(23(30)22(31)28-12-11-27)24(32)18-6-8-19(26)9-7-18/h6-9,16-17,20-21,23H,4-5,10-15,27H2,1-3H3,(H,28,31)