1-[3-(6-fluoranyl-1,2-benzoxazol-3-yl)propyl]-4-phenyl-piperidine-4-carbonitrile hydrochloride

Systemtic Name: 1-[3-(6-fluoranyl-1,2-benzoxazol-3-yl)propyl]-4-phenyl-piperidine-4-carbonitrile hydrochloride Openeye Name: 1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]-4-phenyl-piperidine-4-carbonitrile hydrochloride CAS Name: 1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]-4-phenyl-4-piperidinecarbonitrile hydrochloride IUPAC Name: 1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]-4-phenylpiperidine-4-carbonitrile hydrochloride Traditional Name: 1-[3-(6-fluoroindoxazen-3-yl)propyl]-4-phenyl-isonipecotonitrile hydrochloride Formula: C22H23ClFN3O MolecularWeight: 399.888923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)CCCC3=NOC4=C3C=CC(=C4)F.Cl

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)CCCC3=NOC4=C3C=CC(=C4)F.Cl

InChI

InChI=1S/C22H22FN3O.ClH/c23-18-8-9-19-20(25-27-21(19)15-18)7-4-12-26-13-10-22(16-24,11-14-26)17-5-2-1-3-6-17;/h1-3,5-6,8-9,15H,4,7,10-14H2;1H