5-[[(E)-3-phenylprop-2-enoyl]amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 5-[[(E)-3-phenylprop-2-enoyl]amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 5-[[(E)-3-phenylprop-2-enoyl]amino]-2-(1-piperidyl)-N-(3-pyridylmethyl)benzamide CAS Name: 5-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-2-(1-piperidinyl)-N-(3-pyridinylmethyl)benzamide IUPAC Name: 5-[[(E)-3-phenylprop-2-enoyl]amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 5-[[(E)-3-phenylacryloyl]amino]-2-piperidino-N-(3-pyridylmethyl)benzamide Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C=CC3=CC=CC=C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C27H28N4O2/c32-26(14-11-21-8-3-1-4-9-21)30-23-12-13-25(31-16-5-2-6-17-31)24(18-23)27(33)29-20-22-10-7-15-28-19-22/h1,3-4,7-15,18-19H,2,5-6,16-17,20H2,(H,29,33)(H,30,32)/b14-11+