3-(1-adamantylcarbamoylamino)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-[(3-fluorophenyl)-(1-methyl-2-imidazolyl)methyl]propanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propionamide Formula: C25H32FN5O2 MolecularWeight: 453.552283

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC(=CC=C2)F)NC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C=CN=C1C(C2=CC(=CC=C2)F)NC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H32FN5O2/c1-31-8-7-27-23(31)22(19-3-2-4-20(26)12-19)29-21(32)5-6-28-24(33)30-25-13-16-9-17(14-25)11-18(10-16)15-25/h2-4,7-8,12,16-18,22H,5-6,9-11,13-15H2,1H3,(H,29,32)(H2,28,30,33)