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

Systemtic Name: 2-[[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]-4,5-diphenyl-furan-3-carbonitrile Openeye Name: 2-[[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]-4,5-diphenyl-furan-3-carbonitrile CAS Name: 2-[[3-(4-methyl-1-piperazin-4-iumyl)-2-quinoxalinyl]amino]-4,5-diphenyl-3-furancarbonitrile IUPAC Name: 2-[[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]-4,5-diphenylfuran-3-carbonitrile Traditional Name: 2-[[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]-4,5-diphenyl-3-furonitrile Formula: C30H27N6O+ MolecularWeight: 487.57498

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Descriptors Computed from Structure

Canonical SMILES:

C[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

C[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/C30H26N6O/c1-35-16-18-36(19-17-35)29-28(32-24-14-8-9-15-25(24)33-29)34-30-23(20-31)26(21-10-4-2-5-11-21)27(37-30)22-12-6-3-7-13-22/h2-15H,16-19H2,1H3,(H,32,34)/p+1