3-[3,5-diethyl-1-[3-(oxan-2-yloxy)propyl]pyrazol-4-yl]oxy-5-isocyano-benzenecarbonitrile

Systemtic Name: 3-[3,5-diethyl-1-[3-(oxan-2-yloxy)propyl]pyrazol-4-yl]oxy-5-isocyano-benzenecarbonitrile Openeye Name: 3-[3,5-diethyl-1-(3-tetrahydropyran-2-yloxypropyl)pyrazol-4-yl]oxy-5-isocyano-benzonitrile CAS Name: 3-[[3,5-diethyl-1-[3-(2-oxanyloxy)propyl]-4-pyrazolyl]oxy]-5-isocyanobenzonitrile IUPAC Name: 3-[3,5-diethyl-1-[3-(oxan-2-yloxy)propyl]pyrazol-4-yl]oxy-5-isocyanobenzonitrile Traditional Name: 3-[3,5-diethyl-1-(3-tetrahydropyran-2-yloxypropyl)pyrazol-4-yl]oxy-5-isocyano-benzonitrile Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1CCCOC2CCCCO2)CC)OC3=CC(=CC(=C3)[N+]#[C-])C#N

Isomeric SMILES

CCC1=C(C(=NN1CCCOC2CCCCO2)CC)OC3=CC(=CC(=C3)[N+]#[C-])C#N

InChI

InChI=1S/C23H28N4O3/c1-4-20-23(30-19-14-17(16-24)13-18(15-19)25-3)21(5-2)27(26-20)10-8-12-29-22-9-6-7-11-28-22/h13-15,22H,4-12H2,1-2H3