4-[4-[(2S)-4-cyclobutyl-2-methyl-piperazin-1-yl]carbonylpiperidin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-[(2S)-4-cyclobutyl-2-methyl-piperazin-1-yl]carbonylpiperidin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-[(2S)-4-cyclobutyl-2-methyl-piperazine-1-carbonyl]-1-piperidyl]benzonitrile CAS Name: 4-[4-[[(2S)-4-cyclobutyl-2-methyl-1-piperazinyl]-oxomethyl]-1-piperidinyl]benzonitrile IUPAC Name: 4-[4-[(2S)-4-cyclobutyl-2-methylpiperazine-1-carbonyl]piperidin-1-yl]benzonitrile Traditional Name: 4-[4-[(2S)-4-cyclobutyl-2-methyl-piperazine-1-carbonyl]piperidino]benzonitrile Formula: C22H30N4O MolecularWeight: 366.4998

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCN(CC2)C3=CC=C(C=C3)C#N)C4CCC4

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)C2CCN(CC2)C3=CC=C(C=C3)C#N)C4CCC4

InChI

InChI=1S/C22H30N4O/c1-17-16-25(20-3-2-4-20)13-14-26(17)22(27)19-9-11-24(12-10-19)21-7-5-18(15-23)6-8-21/h5-8,17,19-20H,2-4,9-14,16H2,1H3/t17-/m0/s1