2-[3-[1-(1,4-dioxan-2-ylmethyl)pyrazol-3-yl]phenyl]-5-ethyl-pyrimidine

Systemtic Name: 2-[3-[1-(1,4-dioxan-2-ylmethyl)pyrazol-3-yl]phenyl]-5-ethyl-pyrimidine Openeye Name: 2-[3-[1-(1,4-dioxan-2-ylmethyl)pyrazol-3-yl]phenyl]-5-ethyl-pyrimidine CAS Name: 2-[3-[1-(1,4-dioxan-2-ylmethyl)-3-pyrazolyl]phenyl]-5-ethylpyrimidine IUPAC Name: 2-[3-[1-(1,4-dioxan-2-ylmethyl)pyrazol-3-yl]phenyl]-5-ethylpyrimidine Traditional Name: 2-[3-[1-(1,4-dioxan-2-ylmethyl)pyrazol-3-yl]phenyl]-5-ethyl-pyrimidine Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1)C2=CC=CC(=C2)C3=NN(C=C3)CC4COCCO4

Isomeric SMILES

CCC1=CN=C(N=C1)C2=CC=CC(=C2)C3=NN(C=C3)CC4COCCO4

InChI

InChI=1S/C20H22N4O2/c1-2-15-11-21-20(22-12-15)17-5-3-4-16(10-17)19-6-7-24(23-19)13-18-14-25-8-9-26-18/h3-7,10-12,18H,2,8-9,13-14H2,1H3