N-[3-cyano-4-[4-[phenyl(pyridin-2-yl)methyl]piperazin-1-yl]phenyl]-2-ethyl-butanamide

Systemtic Name: N-[3-cyano-4-[4-[phenyl(pyridin-2-yl)methyl]piperazin-1-yl]phenyl]-2-ethyl-butanamide Openeye Name: N-[3-cyano-4-[4-[phenyl(2-pyridyl)methyl]piperazin-1-yl]phenyl]-2-ethyl-butanamide CAS Name: N-[3-cyano-4-[4-[phenyl(2-pyridinyl)methyl]-1-piperazinyl]phenyl]-2-ethylbutanamide IUPAC Name: N-[3-cyano-4-[4-[phenyl(pyridin-2-yl)methyl]piperazin-1-yl]phenyl]-2-ethylbutanamide Traditional Name: N-[3-cyano-4-[4-[phenyl(2-pyridyl)methyl]piperazino]phenyl]-2-ethyl-butyramide Formula: C29H33N5O MolecularWeight: 467.60522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=N4)C#N

Isomeric SMILES

CCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=N4)C#N

InChI

InChI=1S/C29H33N5O/c1-3-22(4-2)29(35)32-25-13-14-27(24(20-25)21-30)33-16-18-34(19-17-33)28(23-10-6-5-7-11-23)26-12-8-9-15-31-26/h5-15,20,22,28H,3-4,16-19H2,1-2H3,(H,32,35)