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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N(N1CC(=O)N2CCOCC2)C)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCCCC1=C(C(=O)N(N1CC(=O)N2CCOCC2)C)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C28H32N4O3/c1-3-4-9-26-25(28(34)30(2)32(26)20-27(33)31-14-16-35-17-15-31)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