(3S)-1-[(E)-3-(4-cyanophenyl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(E)-3-(4-cyanophenyl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[(E)-3-(4-cyanophenyl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[(E)-3-(4-cyanophenyl)-1-oxoprop-2-enyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(E)-3-(4-cyanophenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[(E)-3-(4-cyanophenyl)acryloyl]-N-phenyl-nipecotamide Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2=CC=C(C=C2)C#N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)/C=C/C2=CC=C(C=C2)C#N)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O2/c23-15-18-10-8-17(9-11-18)12-13-21(26)25-14-4-5-19(16-25)22(27)24-20-6-2-1-3-7-20/h1-3,6-13,19H,4-5,14,16H2,(H,24,27)/b13-12+/t19-/m0/s1