3-[4-[[(2-methyl-2-morpholin-4-yl-propyl)amino]methyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[[(2-methyl-2-morpholin-4-yl-propyl)amino]methyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[[(2-methyl-2-morpholino-propyl)amino]methyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[[[2-methyl-2-(4-morpholinyl)propyl]amino]methyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[[(2-methyl-2-morpholino-propyl)amino]methyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C21H29N5O MolecularWeight: 367.48786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNCC1=CN(N=C1C2=CC=CC=C2)CCC#N)N3CCOCC3

Isomeric SMILES

CC(C)(CNCC1=CN(N=C1C2=CC=CC=C2)CCC#N)N3CCOCC3

InChI

InChI=1S/C21H29N5O/c1-21(2,25-11-13-27-14-12-25)17-23-15-19-16-26(10-6-9-22)24-20(19)18-7-4-3-5-8-18/h3-5,7-8,16,23H,6,10-15,17H2,1-2H3