N-[1-(1-adamantyl)pyrazol-3-yl]-2-(1,3-benzodioxol-5-yl)quinoline-4-carboxamide

Systemtic Name: N-[1-(1-adamantyl)pyrazol-3-yl]-2-(1,3-benzodioxol-5-yl)quinoline-4-carboxamide Openeye Name: N-[1-(1-adamantyl)pyrazol-3-yl]-2-(1,3-benzodioxol-5-yl)quinoline-4-carboxamide CAS Name: N-[1-(1-adamantyl)-3-pyrazolyl]-2-(1,3-benzodioxol-5-yl)-4-quinolinecarboxamide IUPAC Name: N-[1-(1-adamantyl)pyrazol-3-yl]-2-(1,3-benzodioxol-5-yl)quinoline-4-carboxamide Traditional Name: N-[1-(1-adamantyl)pyrazol-3-yl]-2-(1,3-benzodioxol-5-yl)cinchoninamide Formula: C30H28N4O3 MolecularWeight: 492.56832

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=CC(=N4)NC(=O)C5=CC(=NC6=CC=CC=C65)C7=CC8=C(C=C7)OCO8

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=CC(=N4)NC(=O)C5=CC(=NC6=CC=CC=C65)C7=CC8=C(C=C7)OCO8

InChI

InChI=1S/C30H28N4O3/c35-29(32-28-7-8-34(33-28)30-14-18-9-19(15-30)11-20(10-18)16-30)23-13-25(31-24-4-2-1-3-22(23)24)21-5-6-26-27(12-21)37-17-36-26/h1-8,12-13,18-20H,9-11,14-17H2,(H,32,33,35)