4-[4-(2-ethylhexanoylamino)phenyl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[4-(2-ethylhexanoylamino)phenyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[4-(2-ethylhexanoylamino)phenyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[4-[(2-ethyl-1-oxohexyl)amino]phenyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[4-(2-ethylhexanoylamino)phenyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[4-(2-ethylhexanoylamino)phenyl]-N-phenyl-piperazine-1-carboxamide Formula: C25H34N4O2 MolecularWeight: 422.56306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C25H34N4O2/c1-3-5-9-20(4-2)24(30)26-22-12-14-23(15-13-22)28-16-18-29(19-17-28)25(31)27-21-10-7-6-8-11-21/h6-8,10-15,20H,3-5,9,16-19H2,1-2H3,(H,26,30)(H,27,31)