2-(2-methylpyridin-3-yl)-2-[4-(3-phenyl-3-pyrrolidin-1-yl-propanoyl)piperazin-1-yl]ethanenitrile

Systemtic Name: 2-(2-methylpyridin-3-yl)-2-[4-(3-phenyl-3-pyrrolidin-1-yl-propanoyl)piperazin-1-yl]ethanenitrile Openeye Name: 2-(2-methyl-3-pyridyl)-2-[4-(3-phenyl-3-pyrrolidin-1-yl-propanoyl)piperazin-1-yl]acetonitrile CAS Name: 2-(2-methyl-3-pyridinyl)-2-[4-[1-oxo-3-phenyl-3-(1-pyrrolidinyl)propyl]-1-piperazinyl]acetonitrile IUPAC Name: 2-(2-methylpyridin-3-yl)-2-[4-(3-phenyl-3-pyrrolidin-1-ylpropanoyl)piperazin-1-yl]acetonitrile Traditional Name: 2-(2-methyl-3-pyridyl)-2-[4-(3-phenyl-3-pyrrolidino-propanoyl)piperazino]acetonitrile Formula: C25H31N5O MolecularWeight: 417.54654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)N4CCCC4

Isomeric SMILES

CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C25H31N5O/c1-20-22(10-7-11-27-20)24(19-26)29-14-16-30(17-15-29)25(31)18-23(28-12-5-6-13-28)21-8-3-2-4-9-21/h2-4,7-11,23-24H,5-6,12-18H2,1H3