N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-(1-adamantylmethyl)-2-(1,3,5-trimethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)cinchoninamide Formula: C27H32N4O MolecularWeight: 428.56918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C(=NN1C)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC45CC6CC(C4)CC(C6)C5

InChI

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