4-[(1,3-diphenylpyrazol-4-yl)methyl-(phenylmethyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(1,3-diphenylpyrazol-4-yl)methyl-(phenylmethyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[benzyl-[(1,3-diphenylpyrazol-4-yl)methyl]amino]-4-oxo-butanoic acid CAS Name: 4-[(1,3-diphenyl-4-pyrazolyl)methyl-(phenylmethyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[benzyl-[(1,3-diphenylpyrazol-4-yl)methyl]amino]-4-oxobutanoic acid Traditional Name: 4-[benzyl-[(1,3-diphenylpyrazol-4-yl)methyl]amino]-4-keto-butyric acid Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)CCC(=O)O

InChI

InChI=1S/C27H25N3O3/c31-25(16-17-26(32)33)29(18-21-10-4-1-5-11-21)19-23-20-30(24-14-8-3-9-15-24)28-27(23)22-12-6-2-7-13-22/h1-15,20H,16-19H2,(H,32,33)