5-(4-fluorophenyl)-2-methyl-4-[1-[1-(phenylmethyl)piperidin-4-yl]piperidin-3-yl]pyrimidine

Systemtic Name: 5-(4-fluorophenyl)-2-methyl-4-[1-[1-(phenylmethyl)piperidin-4-yl]piperidin-3-yl]pyrimidine Openeye Name: 4-[1-(1-benzyl-4-piperidyl)-3-piperidyl]-5-(4-fluorophenyl)-2-methyl-pyrimidine CAS Name: 5-(4-fluorophenyl)-2-methyl-4-[1-[1-(phenylmethyl)-4-piperidinyl]-3-piperidinyl]pyrimidine IUPAC Name: 4-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-5-(4-fluorophenyl)-2-methylpyrimidine Traditional Name: 4-[1-(1-benzyl-4-piperidyl)-3-piperidyl]-5-(4-fluorophenyl)-2-methyl-pyrimidine Formula: C28H33FN4 MolecularWeight: 444.586823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)C2CCCN(C2)C3CCN(CC3)CC4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=NC=C(C(=N1)C2CCCN(C2)C3CCN(CC3)CC4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H33FN4/c1-21-30-18-27(23-9-11-25(29)12-10-23)28(31-21)24-8-5-15-33(20-24)26-13-16-32(17-14-26)19-22-6-3-2-4-7-22/h2-4,6-7,9-12,18,24,26H,5,8,13-17,19-20H2,1H3