4-oxidanylidene-4-[(phenylmethyl)-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]amino]butanoate

Systemtic Name: 4-oxidanylidene-4-[(phenylmethyl)-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]amino]butanoate Openeye Name: 4-[benzyl-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]amino]-4-oxo-butanoate CAS Name: 4-oxo-4-[(phenylmethyl)-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]amino]butanoate IUPAC Name: 4-[benzyl-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]amino]-4-oxobutanoate Traditional Name: 4-[benzyl-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]amino]-4-keto-butyrate Formula: C25H22N3O3S- MolecularWeight: 444.52548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C25H23N3O3S/c29-23(13-14-24(30)31)27(16-19-8-3-1-4-9-19)17-20-18-28(21-10-5-2-6-11-21)26-25(20)22-12-7-15-32-22/h1-12,15,18H,13-14,16-17H2,(H,30,31)/p-1