4-[4-[(3S)-4-ethyl-3-methyl-piperazin-1-yl]carbonylpiperidin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-[(3S)-4-ethyl-3-methyl-piperazin-1-yl]carbonylpiperidin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-[(3S)-4-ethyl-3-methyl-piperazine-1-carbonyl]-1-piperidyl]benzonitrile CAS Name: 4-[4-[[(3S)-4-ethyl-3-methyl-1-piperazinyl]-oxomethyl]-1-piperidinyl]benzonitrile IUPAC Name: 4-[4-[(3S)-4-ethyl-3-methylpiperazine-1-carbonyl]piperidin-1-yl]benzonitrile Traditional Name: 4-[4-[(3S)-4-ethyl-3-methyl-piperazine-1-carbonyl]piperidino]benzonitrile Formula: C20H28N4O MolecularWeight: 340.46252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1C)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCN1CCN(C[C@@H]1C)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H28N4O/c1-3-22-12-13-24(15-16(22)2)20(25)18-8-10-23(11-9-18)19-6-4-17(14-21)5-7-19/h4-7,16,18H,3,8-13,15H2,1-2H3/t16-/m0/s1