2-[[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]-4,5-diphenyl-furan-3-carbonitrile

Systemtic Name: 2-[[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]-4,5-diphenyl-furan-3-carbonitrile Openeye Name: 2-[[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]-4,5-diphenyl-furan-3-carbonitrile CAS Name: 2-[[3-(4-ethyl-1-piperazin-4-iumyl)-2-quinoxalinyl]amino]-4,5-diphenyl-3-furancarbonitrile IUPAC Name: 2-[[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]-4,5-diphenylfuran-3-carbonitrile Traditional Name: 2-[[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]-4,5-diphenyl-3-furonitrile Formula: C31H29N6O+ MolecularWeight: 501.60156

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2NC4=C(C(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6)C#N

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2NC4=C(C(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6)C#N

InChI

InChI=1S/C31H28N6O/c1-2-36-17-19-37(20-18-36)30-29(33-25-15-9-10-16-26(25)34-30)35-31-24(21-32)27(22-11-5-3-6-12-22)28(38-31)23-13-7-4-8-14-23/h3-16H,2,17-20H2,1H3,(H,33,35)/p+1