methyl 2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(1,3-diphenyl-4-pyrazolyl)methyl-methylamino]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C28H25N5O3 MolecularWeight: 479.5298

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CC4=NC(=O)C5=C(N4)C=C(C=C5)C(=O)OC

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CC4=NC(=O)C5=C(N4)C=C(C=C5)C(=O)OC

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)