3-[1-[2-azanyl-3-(4-fluorophenyl)propanoyl]-4-(2-naphthalen-2-ylethyl)-5-oxidanylidene-piperazin-2-yl]propanenitrile

Systemtic Name: 3-[1-[2-azanyl-3-(4-fluorophenyl)propanoyl]-4-(2-naphthalen-2-ylethyl)-5-oxidanylidene-piperazin-2-yl]propanenitrile Openeye Name: 3-[1-[2-amino-3-(4-fluorophenyl)propanoyl]-4-[2-(2-naphthyl)ethyl]-5-oxo-piperazin-2-yl]propanenitrile CAS Name: 3-[1-[2-amino-3-(4-fluorophenyl)-1-oxopropyl]-4-[2-(2-naphthalenyl)ethyl]-5-oxo-2-piperazinyl]propanenitrile IUPAC Name: 3-[1-[2-amino-3-(4-fluorophenyl)propanoyl]-4-(2-naphthalen-2-ylethyl)-5-oxopiperazin-2-yl]propanenitrile Traditional Name: 3-[1-[2-amino-3-(4-fluorophenyl)propanoyl]-5-keto-4-[2-(2-naphthyl)ethyl]piperazin-2-yl]propionitrile Formula: C28H29FN4O2 MolecularWeight: 472.553863

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC(=O)N1CCC2=CC3=CC=CC=C3C=C2)C(=O)C(CC4=CC=C(C=C4)F)N)CCC#N

Isomeric SMILES

C1C(N(CC(=O)N1CCC2=CC3=CC=CC=C3C=C2)C(=O)C(CC4=CC=C(C=C4)F)N)CCC#N

InChI

InChI=1S/C28H29FN4O2/c29-24-11-8-20(9-12-24)17-26(31)28(35)33-19-27(34)32(18-25(33)6-3-14-30)15-13-21-7-10-22-4-1-2-5-23(22)16-21/h1-2,4-5,7-12,16,25-26H,3,6,13,15,17-19,31H2