N-[3-(cyclopropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[3-(cyclopropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[3-(cyclopropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[3-[(cyclopropylamino)-oxomethyl]phenyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(cyclopropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[3-(cyclopropylcarbamoyl)phenyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3/c29-23(12-9-18-5-2-1-3-6-18)28-15-13-19(14-16-28)24(30)27-22-8-4-7-20(17-22)25(31)26-21-10-11-21/h1-9,12,17,19,21H,10-11,13-16H2,(H,26,31)(H,27,30)/b12-9+