3-fluoranyl-4-[4-[(3S)-3-methyl-4-propan-2-yl-piperazin-1-yl]carbonylpiperidin-1-yl]benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-[4-[(3S)-3-methyl-4-propan-2-yl-piperazin-1-yl]carbonylpiperidin-1-yl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[4-[(3S)-4-isopropyl-3-methyl-piperazine-1-carbonyl]-1-piperidyl]benzonitrile CAS Name: 3-fluoro-4-[4-[[(3S)-3-methyl-4-propan-2-yl-1-piperazinyl]-oxomethyl]-1-piperidinyl]benzonitrile IUPAC Name: 3-fluoro-4-[4-[(3S)-3-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidin-1-yl]benzonitrile Traditional Name: 3-fluoro-4-[4-[(3S)-4-isopropyl-3-methyl-piperazine-1-carbonyl]piperidino]benzonitrile Formula: C21H29FN4O MolecularWeight: 372.479563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29FN4O/c1-15(2)26-11-10-25(14-16(26)3)21(27)18-6-8-24(9-7-18)20-5-4-17(13-23)12-19(20)22/h4-5,12,15-16,18H,6-11,14H2,1-3H3/t16-/m0/s1