methyl 3-[(naphthalen-1-ylcarbonylamino)methyl]-5-(2-pyrazol-1-ylethanoylamino)benzoate

Systemtic Name: methyl 3-[(naphthalen-1-ylcarbonylamino)methyl]-5-(2-pyrazol-1-ylethanoylamino)benzoate Openeye Name: methyl 3-[(naphthalene-1-carbonylamino)methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate CAS Name: 3-[[[1-naphthalenyl(oxo)methyl]amino]methyl]-5-[[1-oxo-2-(1-pyrazolyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(naphthalene-1-carbonylamino)methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate Traditional Name: 3-[(1-naphthoylamino)methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoic acid methyl ester Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C=CC=N2)CNC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C=CC=N2)CNC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H22N4O4/c1-33-25(32)19-12-17(13-20(14-19)28-23(30)16-29-11-5-10-27-29)15-26-24(31)22-9-4-7-18-6-2-3-8-21(18)22/h2-14H,15-16H2,1H3,(H,26,31)(H,28,30)