N-[(3-cyano-2-ethyl-naphthalen-1-yl)methyl]-2-(4-fluorophenyl)-N-methyl-2-piperazin-1-yl-ethanamide

Systemtic Name: N-[(3-cyano-2-ethyl-naphthalen-1-yl)methyl]-2-(4-fluorophenyl)-N-methyl-2-piperazin-1-yl-ethanamide Openeye Name: N-[(3-cyano-2-ethyl-1-naphthyl)methyl]-2-(4-fluorophenyl)-N-methyl-2-piperazin-1-yl-acetamide CAS Name: N-[(3-cyano-2-ethyl-1-naphthalenyl)methyl]-2-(4-fluorophenyl)-N-methyl-2-(1-piperazinyl)acetamide IUPAC Name: N-[(3-cyano-2-ethylnaphthalen-1-yl)methyl]-2-(4-fluorophenyl)-N-methyl-2-piperazin-1-ylacetamide Traditional Name: N-[(3-cyano-2-ethyl-1-naphthyl)methyl]-2-(4-fluorophenyl)-N-methyl-2-piperazino-acetamide Formula: C27H29FN4O MolecularWeight: 444.543763

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2C=C1C#N)CN(C)C(=O)C(C3=CC=C(C=C3)F)N4CCNCC4

Isomeric SMILES

CCC1=C(C2=CC=CC=C2C=C1C#N)CN(C)C(=O)C(C3=CC=C(C=C3)F)N4CCNCC4

InChI

InChI=1S/C27H29FN4O/c1-3-23-21(17-29)16-20-6-4-5-7-24(20)25(23)18-31(2)27(33)26(32-14-12-30-13-15-32)19-8-10-22(28)11-9-19/h4-11,16,26,30H,3,12-15,18H2,1-2H3