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

Systemtic Name: phenyl 2-[(4-azanylcyclohexyl)carbamoyl]-3-(4-fluorophenyl)carbonyl-1,3-diazinane-1-carboxylate Openeye Name: phenyl 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 phenyl ester IUPAC Name: phenyl 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 phenyl ester Formula: C25H29FN4O4 MolecularWeight: 468.520563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)C(=O)OC2=CC=CC=C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(C(N(C1)C(=O)OC2=CC=CC=C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H29FN4O4/c26-18-9-7-17(8-10-18)24(32)29-15-4-16-30(25(33)34-21-5-2-1-3-6-21)23(29)22(31)28-20-13-11-19(27)12-14-20/h1-3,5-10,19-20,23H,4,11-16,27H2,(H,28,31)