2-[4-[5-butyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine

Systemtic Name: 2-[4-[5-butyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine Openeye Name: 2-[4-(4-benzyl-5-butyl-1,2,4-triazol-3-yl)-1-piperidyl]pyrimidine CAS Name: 2-[4-[5-butyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]-1-piperidinyl]pyrimidine IUPAC Name: 2-[4-(4-benzyl-5-butyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine Traditional Name: 2-[4-(4-benzyl-5-butyl-1,2,4-triazol-3-yl)piperidino]pyrimidine Formula: C22H28N6 MolecularWeight: 376.49792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=CC=C2)C3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=CC=C2)C3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H28N6/c1-2-3-10-20-25-26-21(28(20)17-18-8-5-4-6-9-18)19-11-15-27(16-12-19)22-23-13-7-14-24-22/h4-9,13-14,19H,2-3,10-12,15-17H2,1H3