(2S,3R)-3-[4-(2-cyanophenyl)piperazin-1-yl]carbonyl-5-methyl-2-propyl-hexanamide

Systemtic Name: (2S,3R)-3-[4-(2-cyanophenyl)piperazin-1-yl]carbonyl-5-methyl-2-propyl-hexanamide Openeye Name: (2S,3R)-3-[4-(2-cyanophenyl)piperazine-1-carbonyl]-5-methyl-2-propyl-hexanamide CAS Name: (2S,3R)-3-[[4-(2-cyanophenyl)-1-piperazinyl]-oxomethyl]-5-methyl-2-propylhexanamide IUPAC Name: (2S,3R)-3-[4-(2-cyanophenyl)piperazine-1-carbonyl]-5-methyl-2-propylhexanamide Traditional Name: (2S,3R)-3-[4-(2-cyanophenyl)piperazine-1-carbonyl]-5-methyl-2-propyl-hexanamide Formula: C22H32N4O2 MolecularWeight: 384.51508

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(C)C)C(=O)N1CCN(CC1)C2=CC=CC=C2C#N)C(=O)N

Isomeric SMILES

CCC[C@@H]([C@@H](CC(C)C)C(=O)N1CCN(CC1)C2=CC=CC=C2C#N)C(=O)N

InChI

InChI=1S/C22H32N4O2/c1-4-7-18(21(24)27)19(14-16(2)3)22(28)26-12-10-25(11-13-26)20-9-6-5-8-17(20)15-23/h5-6,8-9,16,18-19H,4,7,10-14H2,1-3H3,(H2,24,27)/t18-,19+/m0/s1