(3S)-N-[4-(dimethylamino)-3-pyrrolidin-1-ylcarbonyl-phenyl]-3,5,5-trimethyl-hexanamide

Systemtic Name: (3S)-N-[4-(dimethylamino)-3-pyrrolidin-1-ylcarbonyl-phenyl]-3,5,5-trimethyl-hexanamide Openeye Name: (3S)-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-3,5,5-trimethyl-hexanamide CAS Name: (3S)-N-[4-(dimethylamino)-3-[oxo(1-pyrrolidinyl)methyl]phenyl]-3,5,5-trimethylhexanamide IUPAC Name: (3S)-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-3,5,5-trimethylhexanamide Traditional Name: (3S)-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-3,5,5-trimethyl-hexanamide Formula: C22H35N3O2 MolecularWeight: 373.5322

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC(=C(C=C1)N(C)C)C(=O)N2CCCC2)CC(C)(C)C

Isomeric SMILES

C[C@H](CC(=O)NC1=CC(=C(C=C1)N(C)C)C(=O)N2CCCC2)CC(C)(C)C

InChI

InChI=1S/C22H35N3O2/c1-16(15-22(2,3)4)13-20(26)23-17-9-10-19(24(5)6)18(14-17)21(27)25-11-7-8-12-25/h9-10,14,16H,7-8,11-13,15H2,1-6H3,(H,23,26)/t16-/m1/s1