N-(4-azanyl-5-chloranyl-2-methoxy-phenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide

Systemtic Name: N-(4-azanyl-5-chloranyl-2-methoxy-phenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide Openeye Name: N-(4-amino-5-chloro-2-methoxy-phenyl)-1-[(E)-cinnamyl]piperidine-4-carboxamide CAS Name: N-(4-amino-5-chloro-2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(4-amino-5-chloro-2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide Traditional Name: N-(4-amino-5-chloro-2-methoxy-phenyl)-1-[(E)-cinnamyl]isonipecotamide Formula: C22H26ClN3O2 MolecularWeight: 399.91374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)N)Cl)NC(=O)C2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C(=C1)N)Cl)NC(=O)C2CCN(CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H26ClN3O2/c1-28-21-15-19(24)18(23)14-20(21)25-22(27)17-9-12-26(13-10-17)11-5-8-16-6-3-2-4-7-16/h2-8,14-15,17H,9-13,24H2,1H3,(H,25,27)/b8-5+