N-(4-azanylcyclohexyl)-1-(4-fluorophenyl)carbonyl-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(4-fluorophenyl)carbonyl-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(4-fluorobenzoyl)-3-(3-phenylpropanoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(4-fluorophenyl)-oxomethyl]-3-(1-oxo-3-phenylpropyl)-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(4-fluorobenzoyl)-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(4-fluorobenzoyl)-3-hydrocinnamoyl-hexahydropyrimidine-2-carboxamide Formula: C27H33FN4O3 MolecularWeight: 480.574323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)C(=O)C2=CC=C(C=C2)F)C(=O)NC3CCC(CC3)N)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(C(N(C1)C(=O)C2=CC=C(C=C2)F)C(=O)NC3CCC(CC3)N)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H33FN4O3/c28-21-10-8-20(9-11-21)27(35)32-18-4-17-31(24(33)16-7-19-5-2-1-3-6-19)26(32)25(34)30-23-14-12-22(29)13-15-23/h1-3,5-6,8-11,22-23,26H,4,7,12-18,29H2,(H,30,34)