N-[2-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propylamino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-2-keto-ethyl]adamantane-1-carboxamide Formula: C26H31FN6O2 MolecularWeight: 478.561743

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)NCCCC4=NN(C(=C4C#N)N)C5=CC=C(C=C5)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)NCCCC4=NN(C(=C4C#N)N)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H31FN6O2/c27-19-3-5-20(6-4-19)33-24(29)21(14-28)22(32-33)2-1-7-30-23(34)15-31-25(35)26-11-16-8-17(12-26)10-18(9-16)13-26/h3-6,16-18H,1-2,7-13,15,29H2,(H,30,34)(H,31,35)