3-[1-(cyclopropylmethyl)-4-[4-(3-oxidanylpentan-3-yl)phenyl]piperidin-4-yl]-5-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[1-(cyclopropylmethyl)-4-[4-(3-oxidanylpentan-3-yl)phenyl]piperidin-4-yl]-5-fluoranyl-benzenecarbonitrile Openeye Name: 3-[1-(cyclopropylmethyl)-4-[4-(1-ethyl-1-hydroxy-propyl)phenyl]-4-piperidyl]-5-fluoro-benzonitrile CAS Name: 3-[1-(cyclopropylmethyl)-4-[4-(3-hydroxypentan-3-yl)phenyl]-4-piperidinyl]-5-fluorobenzonitrile IUPAC Name: 3-[1-(cyclopropylmethyl)-4-[4-(3-hydroxypentan-3-yl)phenyl]piperidin-4-yl]-5-fluorobenzonitrile Traditional Name: 3-[1-(cyclopropylmethyl)-4-[4-(1-ethyl-1-hydroxy-propyl)phenyl]-4-piperidyl]-5-fluoro-benzonitrile Formula: C27H33FN2O MolecularWeight: 420.562123

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=C(C=C1)C2(CCN(CC2)CC3CC3)C4=CC(=CC(=C4)C#N)F)O

Isomeric SMILES

CCC(CC)(C1=CC=C(C=C1)C2(CCN(CC2)CC3CC3)C4=CC(=CC(=C4)C#N)F)O

InChI

InChI=1S/C27H33FN2O/c1-3-27(31,4-2)23-9-7-22(8-10-23)26(24-15-21(18-29)16-25(28)17-24)11-13-30(14-12-26)19-20-5-6-20/h7-10,15-17,20,31H,3-6,11-14,19H2,1-2H3