4-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-3-yl]-5-phenyl-2-pyridin-4-yl-pyrimidine

Systemtic Name: 4-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-3-yl]-5-phenyl-2-pyridin-4-yl-pyrimidine Openeye Name: 4-[1-(1,3-benzodioxol-5-ylmethyl)-3-piperidyl]-5-phenyl-2-(4-pyridyl)pyrimidine CAS Name: 4-[1-(1,3-benzodioxol-5-ylmethyl)-3-piperidinyl]-5-phenyl-2-pyridin-4-ylpyrimidine IUPAC Name: 4-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine Traditional Name: 5-phenyl-4-(1-piperonyl-3-piperidyl)-2-(4-pyridyl)pyrimidine Formula: C28H26N4O2 MolecularWeight: 450.53164

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4C5=CC=CC=C5)C6=CC=NC=C6

Isomeric SMILES

C1CC(CN(C1)CC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4C5=CC=CC=C5)C6=CC=NC=C6

InChI

InChI=1S/C28H26N4O2/c1-2-5-21(6-3-1)24-16-30-28(22-10-12-29-13-11-22)31-27(24)23-7-4-14-32(18-23)17-20-8-9-25-26(15-20)34-19-33-25/h1-3,5-6,8-13,15-16,23H,4,7,14,17-19H2