(phenylmethyl) 2-[(4-azanylcyclohexyl)carbamoyl]-3-(3-fluorophenyl)carbonyl-1,3-diazinane-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[(4-azanylcyclohexyl)carbamoyl]-3-(3-fluorophenyl)carbonyl-1,3-diazinane-1-carboxylate Openeye Name: benzyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-fluorobenzoyl)hexahydropyrimidine-1-carboxylate CAS Name: 2-[[(4-aminocyclohexyl)amino]-oxomethyl]-3-[(3-fluorophenyl)-oxomethyl]-1,3-diazinane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-fluorobenzoyl)-1,3-diazinane-1-carboxylate Traditional Name: 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-fluorobenzoyl)hexahydropyrimidine-1-carboxylic acid benzyl ester Formula: C26H31FN4O4 MolecularWeight: 482.547143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CN(C(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C26H31FN4O4/c27-20-9-4-8-19(16-20)25(33)30-14-5-15-31(26(34)35-17-18-6-2-1-3-7-18)24(30)23(32)29-22-12-10-21(28)11-13-22/h1-4,6-9,16,21-22,24H,5,10-15,17,28H2,(H,29,32)