N-[(3S,5R)-3,5-dimethyl-1-adamantyl]-4-oxidanylidene-1H-cinnoline-3-carboxamide

Systemtic Name: N-[(3S,5R)-3,5-dimethyl-1-adamantyl]-4-oxidanylidene-1H-cinnoline-3-carboxamide Openeye Name: N-[(3S,5R)-3,5-dimethyl-1-adamantyl]-4-oxo-1H-cinnoline-3-carboxamide CAS Name: N-[(3S,5R)-3,5-dimethyl-1-adamantyl]-4-oxo-1H-cinnoline-3-carboxamide IUPAC Name: N-[(3S,5R)-3,5-dimethyl-1-adamantyl]-4-oxo-1H-cinnoline-3-carboxamide Traditional Name: N-[(3S,5R)-3,5-dimethyl-1-adamantyl]-4-keto-1H-cinnoline-3-carboxamide Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)NC(=O)C4=NNC5=CC=CC=C5C4=O)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)NC(=O)C4=NNC5=CC=CC=C5C4=O)C

InChI

InChI=1S/C21H25N3O2/c1-19-7-13-8-20(2,10-19)12-21(9-13,11-19)22-18(26)16-17(25)14-5-3-4-6-15(14)23-24-16/h3-6,13H,7-12H2,1-2H3,(H,22,26)(H,23,25)/t13?,19-,20+,21?