N-(1-adamantylmethyl)-2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-(1-adamantylmethyl)-2-(1-ethyl-5-methyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-2-(1-ethyl-5-methyl-pyrazol-4-yl)cinchoninamide Formula: C27H32N4O MolecularWeight: 428.56918

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CCN1C(=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C27H32N4O/c1-3-31-17(2)23(15-29-31)25-11-22(21-6-4-5-7-24(21)30-25)26(32)28-16-27-12-18-8-19(13-27)10-20(9-18)14-27/h4-7,11,15,18-20H,3,8-10,12-14,16H2,1-2H3,(H,28,32)