(5-methyl-2-propan-2-yl-cyclohexyl) 2-[(4-azanylcyclohexyl)carbamoyl]-3-(4-fluorophenyl)carbonyl-1,3-diazinane-1-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[(4-azanylcyclohexyl)carbamoyl]-3-(4-fluorophenyl)carbonyl-1,3-diazinane-1-carboxylate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[(4-aminocyclohexyl)carbamoyl]-3-(4-fluorobenzoyl)hexahydropyrimidine-1-carboxylate CAS Name: 2-[[(4-aminocyclohexyl)amino]-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-[(4-aminocyclohexyl)carbamoyl]-3-(4-fluorobenzoyl)-1,3-diazinane-1-carboxylate Traditional Name: 2-[(4-aminocyclohexyl)carbamoyl]-3-(4-fluorobenzoyl)hexahydropyrimidine-1-carboxylic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C29H43FN4O4 MolecularWeight: 530.674523

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)C4=CC=C(C=C4)F)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)C4=CC=C(C=C4)F)C(C)C

InChI

InChI=1S/C29H43FN4O4/c1-18(2)24-14-5-19(3)17-25(24)38-29(37)34-16-4-15-33(28(36)20-6-8-21(30)9-7-20)27(34)26(35)32-23-12-10-22(31)11-13-23/h6-9,18-19,22-25,27H,4-5,10-17,31H2,1-3H3,(H,32,35)