2-[4-[[3-butyl-1-methyl-5-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)pyrazol-4-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[3-butyl-1-methyl-5-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)pyrazol-4-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[3-butyl-1-methyl-5-(2-morpholino-2-oxo-ethoxy)pyrazol-4-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[3-butyl-1-methyl-5-[2-(4-morpholinyl)-2-oxoethoxy]-4-pyrazolyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[3-butyl-1-methyl-5-(2-morpholin-4-yl-2-oxoethoxy)pyrazol-4-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[3-butyl-5-(2-keto-2-morpholino-ethoxy)-1-methyl-pyrazol-4-yl]methyl]phenyl]benzonitrile Formula: C28H32N4O3 MolecularWeight: 472.57868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)OCC(=O)N4CCOCC4)C

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)OCC(=O)N4CCOCC4)C

InChI

InChI=1S/C28H32N4O3/c1-3-4-9-26-25(28(31(2)30-26)35-20-27(33)32-14-16-34-17-15-32)18-21-10-12-22(13-11-21)24-8-6-5-7-23(24)19-29/h5-8,10-13H,3-4,9,14-18,20H2,1-2H3