N-[3-[(3-cyano-5,7-dimethyl-quinolin-2-yl)amino]propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[(3-cyano-5,7-dimethyl-quinolin-2-yl)amino]propyl]adamantane-1-carboxamide Openeye Name: N-[3-[(3-cyano-5,7-dimethyl-2-quinolyl)amino]propyl]adamantane-1-carboxamide CAS Name: N-[3-[(3-cyano-5,7-dimethyl-2-quinolinyl)amino]propyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]adamantane-1-carboxamide Traditional Name: N-[3-[(3-cyano-5,7-dimethyl-2-quinolyl)amino]propyl]adamantane-1-carboxamide Formula: C26H32N4O MolecularWeight: 416.55848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=NC2=C1)NCCCNC(=O)C34CC5CC(C3)CC(C5)C4)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)NCCCNC(=O)C34CC5CC(C3)CC(C5)C4)C#N)C

InChI

InChI=1S/C26H32N4O/c1-16-6-17(2)22-11-21(15-27)24(30-23(22)7-16)28-4-3-5-29-25(31)26-12-18-8-19(13-26)10-20(9-18)14-26/h6-7,11,18-20H,3-5,8-10,12-14H2,1-2H3,(H,28,30)(H,29,31)