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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3-fluorophenyl)carbonyl-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(3-fluorobenzoyl)-3-(3-phenylpropanoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(3-fluorophenyl)-oxomethyl]-3-(1-oxo-3-phenylpropyl)-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(3-fluorobenzoyl)-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(3-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(=CC=C2)F)C(=O)NC3CCC(CC3)N)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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