4-[4-[(3S,5S)-4-ethyl-3,5-dimethyl-piperazin-1-yl]carbonylpiperidin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-[(3S,5S)-4-ethyl-3,5-dimethyl-piperazin-1-yl]carbonylpiperidin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-[(3S,5S)-4-ethyl-3,5-dimethyl-piperazine-1-carbonyl]-1-piperidyl]benzonitrile CAS Name: 4-[4-[[(3S,5S)-4-ethyl-3,5-dimethyl-1-piperazinyl]-oxomethyl]-1-piperidinyl]benzonitrile IUPAC Name: 4-[4-[(3S,5S)-4-ethyl-3,5-dimethylpiperazine-1-carbonyl]piperidin-1-yl]benzonitrile Traditional Name: 4-[4-[(3S,5S)-4-ethyl-3,5-dimethyl-piperazine-1-carbonyl]piperidino]benzonitrile Formula: C21H30N4O MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(CN(CC1C)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCN1[C@H](CN(C[C@@H]1C)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C21H30N4O/c1-4-25-16(2)14-24(15-17(25)3)21(26)19-9-11-23(12-10-19)20-7-5-18(13-22)6-8-20/h5-8,16-17,19H,4,9-12,14-15H2,1-3H3/t16-,17-/m0/s1