heptyl 2-cyano-2-[3-[4-(phenylmethyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: heptyl 2-cyano-2-[3-[4-(phenylmethyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: heptyl 2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-cyano-acetate CAS Name: 2-cyano-2-[3-[4-(phenylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid heptyl ester IUPAC Name: heptyl 2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-cyanoacetate Traditional Name: 2-[3-(4-benzylpiperazino)quinoxalin-2-yl]-2-cyano-acetic acid heptyl ester Formula: C29H35N5O2 MolecularWeight: 485.6205

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCCCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C29H35N5O2/c1-2-3-4-5-11-20-36-29(35)24(21-30)27-28(32-26-15-10-9-14-25(26)31-27)34-18-16-33(17-19-34)22-23-12-7-6-8-13-23/h6-10,12-15,24H,2-5,11,16-20,22H2,1H3