3-[(2R,5S)-2-methyl-3,6-bis(oxidanylidene)-5-(phenylmethyl)piperazin-1-yl]propanenitrile

Systemtic Name: 3-[(2R,5S)-2-methyl-3,6-bis(oxidanylidene)-5-(phenylmethyl)piperazin-1-yl]propanenitrile Openeye Name: 3-[(2R,5S)-5-benzyl-2-methyl-3,6-dioxo-piperazin-1-yl]propanenitrile CAS Name: 3-[(2R,5S)-2-methyl-3,6-dioxo-5-(phenylmethyl)-1-piperazinyl]propanenitrile IUPAC Name: 3-[(2R,5S)-5-benzyl-2-methyl-3,6-dioxopiperazin-1-yl]propanenitrile Traditional Name: 3-[(3S,6R)-3-benzyl-2,5-diketo-6-methyl-piperazino]propionitrile Formula: C15H17N3O2 MolecularWeight: 271.31438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC(C(=O)N1CCC#N)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H]1C(=O)N[C@H](C(=O)N1CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C15H17N3O2/c1-11-14(19)17-13(10-12-6-3-2-4-7-12)15(20)18(11)9-5-8-16/h2-4,6-7,11,13H,5,9-10H2,1H3,(H,17,19)/t11-,13+/m1/s1