5-[4-(2-azanyl-3-phenyl-propanoyl)piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[4-(2-azanyl-3-phenyl-propanoyl)piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-(2-amino-3-phenyl-propanoyl)piperazin-1-yl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[4-(2-amino-1-oxo-3-phenylpropyl)-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 2-isopropyl-2-phenyl-5-(4-phenylalanylpiperazino)valeronitrile Formula: C27H36N4O MolecularWeight: 432.60094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O/c1-22(2)27(21-28,24-12-7-4-8-13-24)14-9-15-30-16-18-31(19-17-30)26(32)25(29)20-23-10-5-3-6-11-23/h3-8,10-13,22,25H,9,14-20,29H2,1-2H3