2-cyano-2-[3-[4-(phenylmethyl)piperidin-1-yl]quinoxalin-2-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-cyano-2-[3-[4-(phenylmethyl)piperidin-1-yl]quinoxalin-2-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[3-(4-benzyl-1-piperidyl)quinoxalin-2-yl]-2-cyano-acetamide CAS Name: 2-cyano-2-[3-[4-(phenylmethyl)-1-piperidinyl]-2-quinoxalinyl]-N-prop-2-enylacetamide IUPAC Name: 2-[3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl]-2-cyano-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[3-(4-benzylpiperidino)quinoxalin-2-yl]-2-cyano-acetamide Formula: C26H27N5O MolecularWeight: 425.52548

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C=CCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H27N5O/c1-2-14-28-26(32)21(18-27)24-25(30-23-11-7-6-10-22(23)29-24)31-15-12-20(13-16-31)17-19-8-4-3-5-9-19/h2-11,20-21H,1,12-17H2,(H,28,32)