N-[1-[(2-chlorophenyl)methyl]-6-oxidanylidene-pyridin-3-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[1-[(2-chlorophenyl)methyl]-6-oxidanylidene-pyridin-3-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[1-[(2-chlorophenyl)methyl]-6-oxopyridin-3-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[1-(2-chlorobenzyl)-6-keto-3-pyridyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C27H26ClN3O3 MolecularWeight: 475.96664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CN(C(=O)C=C2)CC3=CC=CC=C3Cl)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CN(C(=O)C=C2)CC3=CC=CC=C3Cl)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H26ClN3O3/c28-24-9-5-4-8-22(24)18-31-19-23(11-13-26(31)33)29-27(34)21-14-16-30(17-15-21)25(32)12-10-20-6-2-1-3-7-20/h1-13,19,21H,14-18H2,(H,29,34)/b12-10+