2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-azaniumyl]methyl]-7-methoxycarbonyl-quinazolin-4-olate

Systemtic Name: 2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-azaniumyl]methyl]-7-methoxycarbonyl-quinazolin-4-olate Openeye Name: 2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-ammonio]methyl]-7-methoxycarbonyl-quinazolin-4-olate CAS Name: 2-[[(1,3-diphenyl-4-pyrazolyl)methyl-methylammonio]methyl]-7-methoxycarbonyl-4-quinazolinolate IUPAC Name: 2-[[(1,3-diphenylpyrazol-4-yl)methyl-methylazaniumyl]methyl]-7-methoxycarbonylquinazolin-4-olate Traditional Name: 7-carbomethoxy-2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-ammonio]methyl]quinazolin-4-olate Formula: C28H25N5O3 MolecularWeight: 479.5298

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CC4=NC5=C(C=CC(=C5)C(=O)OC)C(=N4)[O-]

Isomeric SMILES

C[NH+](CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CC4=NC5=C(C=CC(=C5)C(=O)OC)C(=N4)[O-]

InChI

InChI=1S/C28H25N5O3/c1-32(18-25-29-24-15-20(28(35)36-2)13-14-23(24)27(34)30-25)16-21-17-33(22-11-7-4-8-12-22)31-26(21)19-9-5-3-6-10-19/h3-15,17H,16,18H2,1-2H3,(H,29,30,34)