phenyl 2-[(4-azanylcyclohexyl)carbamoyl]-3-[3,5-bis(fluoranyl)phenyl]carbonyl-1,3-diazinane-1-carboxylate

Systemtic Name: phenyl 2-[(4-azanylcyclohexyl)carbamoyl]-3-[3,5-bis(fluoranyl)phenyl]carbonyl-1,3-diazinane-1-carboxylate Openeye Name: phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3,5-difluorobenzoyl)hexahydropyrimidine-1-carboxylate CAS Name: 2-[[(4-aminocyclohexyl)amino]-oxomethyl]-3-[(3,5-difluorophenyl)-oxomethyl]-1,3-diazinane-1-carboxylic acid phenyl ester IUPAC Name: phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3,5-difluorobenzoyl)-1,3-diazinane-1-carboxylate Traditional Name: 2-[(4-aminocyclohexyl)carbamoyl]-3-(3,5-difluorobenzoyl)hexahydropyrimidine-1-carboxylic acid phenyl ester Formula: C25H28F2N4O4 MolecularWeight: 486.511026

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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)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)F

InChI

InChI=1S/C25H28F2N4O4/c26-17-13-16(14-18(27)15-17)24(33)30-11-4-12-31(25(34)35-21-5-2-1-3-6-21)23(30)22(32)29-20-9-7-19(28)8-10-20/h1-3,5-6,13-15,19-20,23H,4,7-12,28H2,(H,29,32)