methyl 4-[[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-methylamino]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]acetyl]amino]methyl]benzoic acid methyl ester Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)CC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)CC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H28N4O3/c1-17-22(18(2)28(26-17)21-8-6-5-7-9-21)15-27(3)16-23(29)25-14-19-10-12-20(13-11-19)24(30)31-4/h5-13H,14-16H2,1-4H3,(H,25,29)