1-methoxypropan-2-yl 2-cyano-2-[3-[4-(diphenylmethyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: 1-methoxypropan-2-yl 2-cyano-2-[3-[4-(diphenylmethyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: (2-methoxy-1-methyl-ethyl) 2-[3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl]-2-cyano-acetate CAS Name: 2-cyano-2-[3-[4-(diphenylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid 1-methoxypropan-2-yl ester IUPAC Name: 1-methoxypropan-2-yl 2-[3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl]-2-cyanoacetate Traditional Name: 2-[3-(4-benzhydrylpiperazino)quinoxalin-2-yl]-2-cyano-acetic acid (2-methoxy-1-methyl-ethyl) ester Formula: C32H33N5O3 MolecularWeight: 535.63612

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)OC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(COC)OC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H33N5O3/c1-23(22-39-2)40-32(38)26(21-33)29-31(35-28-16-10-9-15-27(28)34-29)37-19-17-36(18-20-37)30(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-16,23,26,30H,17-20,22H2,1-2H3