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

Systemtic Name: 2-[4-[[1-(2-dimethylaminoethyl)-2-methyl-3-oxidanylidene-5-propyl-pyrazol-4-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[1-(2-dimethylaminoethyl)-2-methyl-3-oxo-5-propyl-pyrazol-4-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[1-(2-dimethylaminoethyl)-2-methyl-3-oxo-5-propyl-4-pyrazolyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[1-(2-dimethylaminoethyl)-2-methyl-3-oxo-5-propylpyrazol-4-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[1-(2-dimethylaminoethyl)-3-keto-2-methyl-5-propyl-3-pyrazolin-4-yl]methyl]phenyl]benzonitrile Formula: C25H30N4O MolecularWeight: 402.5319

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1CCN(C)C)C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCC1=C(C(=O)N(N1CCN(C)C)C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C25H30N4O/c1-5-8-24-23(25(30)28(4)29(24)16-15-27(2)3)17-19-11-13-20(14-12-19)22-10-7-6-9-21(22)18-26/h6-7,9-14H,5,8,15-17H2,1-4H3