3-[3-(3,4-dimethylphenyl)-4-morpholin-4-ylcarbonyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3-(3,4-dimethylphenyl)-4-morpholin-4-ylcarbonyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[3-(3,4-dimethylphenyl)-4-(morpholine-4-carbonyl)pyrazol-1-yl]propanenitrile CAS Name: 3-[3-(3,4-dimethylphenyl)-4-[4-morpholinyl(oxo)methyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3-(3,4-dimethylphenyl)-4-(morpholine-4-carbonyl)pyrazol-1-yl]propanenitrile Traditional Name: 3-[3-(3,4-dimethylphenyl)-4-(morpholine-4-carbonyl)pyrazol-1-yl]propionitrile Formula: C19H22N4O2 MolecularWeight: 338.40358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCOCC3)CCC#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCOCC3)CCC#N)C

InChI

InChI=1S/C19H22N4O2/c1-14-4-5-16(12-15(14)2)18-17(13-23(21-18)7-3-6-20)19(24)22-8-10-25-11-9-22/h4-5,12-13H,3,7-11H2,1-2H3