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

Systemtic Name: phenyl 2-[(4-azanylcyclohexyl)carbamoyl]-3-(3-fluorophenyl)carbonyl-1,3-diazinane-1-carboxylate Openeye Name: phenyl 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 phenyl ester IUPAC Name: phenyl 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 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(=CC=C4)F

Isomeric SMILES

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

InChI

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