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

Systemtic Name: 2-[4-[[1-methyl-2-(2-morpholin-4-ylethyl)-5-oxidanylidene-3-propyl-pyrazol-4-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[1-methyl-2-(2-morpholinoethyl)-5-oxo-3-propyl-pyrazol-4-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[1-methyl-2-[2-(4-morpholinyl)ethyl]-5-oxo-3-propyl-4-pyrazolyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[1-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-3-propylpyrazol-4-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[5-keto-1-methyl-2-(2-morpholinoethyl)-3-propyl-3-pyrazolin-4-yl]methyl]phenyl]benzonitrile Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1CCN2CCOCC2)C)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCCC1=C(C(=O)N(N1CCN2CCOCC2)C)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C27H32N4O2/c1-3-6-26-25(27(32)29(2)31(26)14-13-30-15-17-33-18-16-30)19-21-9-11-22(12-10-21)24-8-5-4-7-23(24)20-28/h4-5,7-12H,3,6,13-19H2,1-2H3