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

Systemtic Name: N-[3-cyano-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]-2-ethyl-butanamide Openeye Name: N-[3-cyano-4-[4-[oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]-2-ethyl-butanamide CAS Name: N-[3-cyano-4-[4-[2-oxazolyl(phenyl)methyl]-1-piperazinyl]phenyl]-2-ethylbutanamide IUPAC Name: N-[3-cyano-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]-2-ethylbutanamide Traditional Name: N-[3-cyano-4-[4-[oxazol-2-yl(phenyl)methyl]piperazino]phenyl]-2-ethyl-butyramide Formula: C27H31N5O2 MolecularWeight: 457.56734

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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=NC=CO4)C#N

Isomeric SMILES

CCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(C3=CC=CC=C3)C4=NC=CO4)C#N

InChI

InChI=1S/C27H31N5O2/c1-3-20(4-2)26(33)30-23-10-11-24(22(18-23)19-28)31-13-15-32(16-14-31)25(27-29-12-17-34-27)21-8-6-5-7-9-21/h5-12,17-18,20,25H,3-4,13-16H2,1-2H3,(H,30,33)