2-[4-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperazin-1-yl]pyrimidine

Systemtic Name: 2-[4-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperazin-1-yl]pyrimidine Openeye Name: 2-[4-[[3-[4-(1-piperidyl)but-1-ynyl]phenyl]methyl]piperazin-1-yl]pyrimidine CAS Name: 2-[4-[[3-[4-(1-piperidinyl)but-1-ynyl]phenyl]methyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperazin-1-yl]pyrimidine Traditional Name: 2-[4-[3-(4-piperidinobut-1-ynyl)benzyl]piperazino]pyrimidine Formula: C24H31N5 MolecularWeight: 389.53644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC#CC2=CC(=CC=C2)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCN(CC1)CCC#CC2=CC(=CC=C2)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C24H31N5/c1-3-13-27(14-4-1)15-5-2-8-22-9-6-10-23(20-22)21-28-16-18-29(19-17-28)24-25-11-7-12-26-24/h6-7,9-12,20H,1,3-5,13-19,21H2