(3S)-4-(3,3-dimethyl-2-oxidanylidene-4-quinolin-8-yl-azetidin-1-yl)adamantane-1-carboxamide

Systemtic Name: (3S)-4-(3,3-dimethyl-2-oxidanylidene-4-quinolin-8-yl-azetidin-1-yl)adamantane-1-carboxamide Openeye Name: (3S)-4-[3,3-dimethyl-2-oxo-4-(8-quinolyl)azetidin-1-yl]adamantane-1-carboxamide CAS Name: (3S)-4-[3,3-dimethyl-2-oxo-4-(8-quinolinyl)-1-azetidinyl]-1-adamantanecarboxamide IUPAC Name: (3S)-4-(3,3-dimethyl-2-oxo-4-quinolin-8-ylazetidin-1-yl)adamantane-1-carboxamide Traditional Name: (3S)-4-[2-keto-3,3-dimethyl-4-(8-quinolyl)azetidin-1-yl]adamantane-1-carboxamide Formula: C25H29N3O2 MolecularWeight: 403.51666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C1=O)C2C3CC4CC2CC(C4)(C3)C(=O)N)C5=CC=CC6=C5N=CC=C6)C

Isomeric SMILES

CC1(C(N(C1=O)C2[C@H]3CC4CC2CC(C3)(C4)C(=O)N)C5=CC=CC6=C5N=CC=C6)C

InChI

InChI=1S/C25H29N3O2/c1-24(2)21(18-7-3-5-15-6-4-8-27-19(15)18)28(23(24)30)20-16-9-14-10-17(20)13-25(11-14,12-16)22(26)29/h3-8,14,16-17,20-21H,9-13H2,1-2H3,(H2,26,29)/t14?,16-,17?,20?,21?,25?/m0/s1