N-(1-adamantylmethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-(1-adamantylmethyl)-2-(1-methyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-2-(1-methylpyrazol-4-yl)cinchoninamide Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H28N4O/c1-29-14-19(13-27-29)23-9-21(20-4-2-3-5-22(20)28-23)24(30)26-15-25-10-16-6-17(11-25)8-18(7-16)12-25/h2-5,9,13-14,16-18H,6-8,10-12,15H2,1H3,(H,26,30)