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

Systemtic Name: 2-[4-[[1-methyl-5-(2-morpholin-4-ylethoxy)-3-propyl-pyrazol-4-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[1-methyl-5-(2-morpholinoethoxy)-3-propyl-pyrazol-4-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[1-methyl-5-[2-(4-morpholinyl)ethoxy]-3-propyl-4-pyrazolyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[1-methyl-5-(2-morpholin-4-ylethoxy)-3-propylpyrazol-4-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[1-methyl-5-(2-morpholinoethoxy)-3-propyl-pyrazol-4-yl]methyl]phenyl]benzonitrile Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)OCCN4CCOCC4)C

Isomeric SMILES

CCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)OCCN4CCOCC4)C

InChI

InChI=1S/C27H32N4O2/c1-3-6-26-25(27(30(2)29-26)33-18-15-31-13-16-32-17-14-31)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