[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl]-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-azanium

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl]-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-azanium Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl]-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-ammonium CAS Name: [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl]-[(1,3-diphenyl-4-pyrazolyl)methyl]-methylammonium IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl]-[(1,3-diphenylpyrazol-4-yl)methyl]-methylazanium Traditional Name: [2-(butylcarbamoylamino)-2-keto-ethyl]-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-ammonium Formula: C24H30N5O2+ MolecularWeight: 420.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)C[NH+](C)CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)NC(=O)C[NH+](C)CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H29N5O2/c1-3-4-15-25-24(31)26-22(30)18-28(2)16-20-17-29(21-13-9-6-10-14-21)27-23(20)19-11-7-5-8-12-19/h5-14,17H,3-4,15-16,18H2,1-2H3,(H2,25,26,30,31)/p+1