(2S)-N-[4-(dimethylamino)-3-(4-methylpiperidin-1-yl)carbonyl-phenyl]-2-ethyl-hexanamide

Systemtic Name: (2S)-N-[4-(dimethylamino)-3-(4-methylpiperidin-1-yl)carbonyl-phenyl]-2-ethyl-hexanamide Openeye Name: (2S)-N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-ethyl-hexanamide CAS Name: (2S)-N-[4-(dimethylamino)-3-[(4-methyl-1-piperidinyl)-oxomethyl]phenyl]-2-ethylhexanamide IUPAC Name: (2S)-N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-ethylhexanamide Traditional Name: (2S)-N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-ethyl-hexanamide Formula: C23H37N3O2 MolecularWeight: 387.55878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC(=C(C=C1)N(C)C)C(=O)N2CCC(CC2)C

Isomeric SMILES

CCCC[C@H](CC)C(=O)NC1=CC(=C(C=C1)N(C)C)C(=O)N2CCC(CC2)C

InChI

InChI=1S/C23H37N3O2/c1-6-8-9-18(7-2)22(27)24-19-10-11-21(25(4)5)20(16-19)23(28)26-14-12-17(3)13-15-26/h10-11,16-18H,6-9,12-15H2,1-5H3,(H,24,27)/t18-/m0/s1