5-methyl-4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]carbonyl-2-pyrrol-1-yl-furan-3-carbonitrile

Systemtic Name: 5-methyl-4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]carbonyl-2-pyrrol-1-yl-furan-3-carbonitrile Openeye Name: 5-methyl-4-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carbonyl]-2-pyrrol-1-yl-furan-3-carbonitrile CAS Name: 5-methyl-4-[[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]-oxomethyl]-2-(1-pyrrolyl)-3-furancarbonitrile IUPAC Name: 5-methyl-4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carbonyl]-2-pyrrol-1-ylfuran-3-carbonitrile Traditional Name: 5-methyl-4-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carbonyl]-2-pyrrol-1-yl-3-furonitrile Formula: C25H25N6O3+ MolecularWeight: 457.5044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)C(=O)C4=C(OC(=C4C#N)N5C=CC=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)C(=O)C4=C(OC(=C4C#N)N5C=CC=C5)C

InChI

InChI=1S/C25H24N6O3/c1-17-5-7-19(8-6-17)23-27-21(34-28-23)16-29-11-13-30(14-12-29)24(32)22-18(2)33-25(20(22)15-26)31-9-3-4-10-31/h3-10H,11-14,16H2,1-2H3/p+1