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

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-[(2-fluorophenyl)-(1-methyl-2-imidazolyl)methyl]propanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-[(2-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=C2F)NC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C=CN=C1C(C2=CC=CC=C2F)NC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

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