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

Systemtic Name: ethyl 2-cyano-2-[3-[4-(diphenylmethyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: 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 ethyl ester IUPAC Name: ethyl 2-[3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl]-2-cyanoacetate Traditional Name: 2-[3-(4-benzhydrylpiperazino)quinoxalin-2-yl]-2-cyano-acetic acid ethyl ester Formula: C30H29N5O2 MolecularWeight: 491.58356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H29N5O2/c1-2-37-30(36)24(21-31)27-29(33-26-16-10-9-15-25(26)32-27)35-19-17-34(18-20-35)28(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-16,24,28H,2,17-20H2,1H3