4-[(5-cyano-2-fluoranyl-phenyl)-piperidin-4-yl-amino]-N,N-di(propan-2-yl)benzamide

Systemtic Name: 4-[(5-cyano-2-fluoranyl-phenyl)-piperidin-4-yl-amino]-N,N-di(propan-2-yl)benzamide Openeye Name: 4-[5-cyano-2-fluoro-N-(4-piperidyl)anilino]-N,N-diisopropyl-benzamide CAS Name: 4-[5-cyano-2-fluoro-N-(4-piperidinyl)anilino]-N,N-di(propan-2-yl)benzamide IUPAC Name: 4-(5-cyano-2-fluoro-N-piperidin-4-ylanilino)-N,N-di(propan-2-yl)benzamide Traditional Name: 4-[5-cyano-2-fluoro-N-(4-piperidyl)anilino]-N,N-diisopropyl-benzamide Formula: C25H31FN4O MolecularWeight: 422.538243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C1=CC=C(C=C1)N(C2CCNCC2)C3=C(C=CC(=C3)C#N)F

Isomeric SMILES

CC(C)N(C(C)C)C(=O)C1=CC=C(C=C1)N(C2CCNCC2)C3=C(C=CC(=C3)C#N)F

InChI

InChI=1S/C25H31FN4O/c1-17(2)29(18(3)4)25(31)20-6-8-21(9-7-20)30(22-11-13-28-14-12-22)24-15-19(16-27)5-10-23(24)26/h5-10,15,17-18,22,28H,11-14H2,1-4H3