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

Systemtic Name: 2-[4-[[1-(2-hydroxyethyl)-2-methyl-3-oxidanylidene-5-propyl-pyrazol-4-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[1-(2-hydroxyethyl)-2-methyl-3-oxo-5-propyl-pyrazol-4-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[1-(2-hydroxyethyl)-2-methyl-3-oxo-5-propyl-4-pyrazolyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[1-(2-hydroxyethyl)-2-methyl-3-oxo-5-propylpyrazol-4-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[1-(2-hydroxyethyl)-3-keto-2-methyl-5-propyl-3-pyrazolin-4-yl]methyl]phenyl]benzonitrile Formula: C23H25N3O2 MolecularWeight: 375.4635

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1CCO)C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCC1=C(C(=O)N(N1CCO)C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C23H25N3O2/c1-3-6-22-21(23(28)25(2)26(22)13-14-27)15-17-9-11-18(12-10-17)20-8-5-4-7-19(20)16-24/h4-5,7-12,27H,3,6,13-15H2,1-2H3