2-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]amino]-4,5-diphenyl-furan-3-carbonitrile

Systemtic Name: 2-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]amino]-4,5-diphenyl-furan-3-carbonitrile Openeye Name: 2-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]amino]-4,5-diphenyl-furan-3-carbonitrile CAS Name: 2-[[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-quinoxalinyl]amino]-4,5-diphenyl-3-furancarbonitrile IUPAC Name: 2-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]amino]-4,5-diphenylfuran-3-carbonitrile Traditional Name: 4,5-diphenyl-2-[[3-(4-piperonylpiperazino)quinoxalin-2-yl]amino]-3-furonitrile Formula: C37H30N6O3 MolecularWeight: 606.6725

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5N=C4NC6=C(C(=C(O6)C7=CC=CC=C7)C8=CC=CC=C8)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5N=C4NC6=C(C(=C(O6)C7=CC=CC=C7)C8=CC=CC=C8)C#N

InChI

InChI=1S/C37H30N6O3/c38-22-28-33(26-9-3-1-4-10-26)34(27-11-5-2-6-12-27)46-37(28)41-35-36(40-30-14-8-7-13-29(30)39-35)43-19-17-42(18-20-43)23-25-15-16-31-32(21-25)45-24-44-31/h1-16,21H,17-20,23-24H2,(H,39,41)