3-[4-[4-(phenylmethyl)piperidin-1-yl]but-1-ynyl]aniline

Systemtic Name: 3-[4-[4-(phenylmethyl)piperidin-1-yl]but-1-ynyl]aniline Openeye Name: 3-[4-(4-benzyl-1-piperidyl)but-1-ynyl]aniline CAS Name: 3-[4-[4-(phenylmethyl)-1-piperidinyl]but-1-ynyl]aniline IUPAC Name: 3-[4-(4-benzylpiperidin-1-yl)but-1-ynyl]aniline Traditional Name: [3-[4-(4-benzylpiperidino)but-1-ynyl]phenyl]amine Formula: C22H26N2 MolecularWeight: 318.45524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCC#CC3=CC(=CC=C3)N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCC#CC3=CC(=CC=C3)N

InChI

InChI=1S/C22H26N2/c23-22-11-6-10-20(18-22)9-4-5-14-24-15-12-21(13-16-24)17-19-7-2-1-3-8-19/h1-3,6-8,10-11,18,21H,5,12-17,23H2