2-phenyl-5-[4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-2-propan-2-yl-pentanenitrile

Systemtic Name: 2-phenyl-5-[4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-2-propan-2-yl-pentanenitrile Openeye Name: 2-isopropyl-2-phenyl-5-[4-[(5-phenylisoxazol-3-yl)methyl]piperazin-1-yl]pentanenitrile CAS Name: 2-phenyl-5-[4-[(5-phenyl-3-isoxazolyl)methyl]-1-piperazinyl]-2-propan-2-ylpentanenitrile IUPAC Name: 2-phenyl-5-[4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-2-propan-2-ylpentanenitrile Traditional Name: 2-isopropyl-2-phenyl-5-[4-[(5-phenylisoxazol-3-yl)methyl]piperazino]valeronitrile Formula: C28H34N4O MolecularWeight: 442.59576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CC2=NOC(=C2)C3=CC=CC=C3)(C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CC2=NOC(=C2)C3=CC=CC=C3)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C28H34N4O/c1-23(2)28(22-29,25-12-7-4-8-13-25)14-9-15-31-16-18-32(19-17-31)21-26-20-27(33-30-26)24-10-5-3-6-11-24/h3-8,10-13,20,23H,9,14-19,21H2,1-2H3