1-(phenylmethyl)-4-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperazine

Systemtic Name: 1-(phenylmethyl)-4-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperazine Openeye Name: 1-benzyl-4-[[4-[4-(1-piperidyl)but-1-ynyl]phenyl]methyl]piperazine CAS Name: 1-(phenylmethyl)-4-[[4-[4-(1-piperidinyl)but-1-ynyl]phenyl]methyl]piperazine IUPAC Name: 1-benzyl-4-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperazine Traditional Name: 1-benzyl-4-[4-(4-piperidinobut-1-ynyl)benzyl]piperazine Formula: C27H35N3 MolecularWeight: 401.5869

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC#CC2=CC=C(C=C2)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)CCC#CC2=CC=C(C=C2)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H35N3/c1-3-10-26(11-4-1)23-29-19-21-30(22-20-29)24-27-14-12-25(13-15-27)9-5-8-18-28-16-6-2-7-17-28/h1,3-4,10-15H,2,6-8,16-24H2