methyl 3-[(2-pyrazol-1-ylpyridin-4-yl)methylcarbamoylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[(2-pyrazol-1-ylpyridin-4-yl)methylcarbamoylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[(2-pyrazol-1-yl-4-pyridyl)methylcarbamoylamino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[oxo-[[2-(1-pyrazolyl)-4-pyridinyl]methylamino]methyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(2-pyrazol-1-ylpyridin-4-yl)methylcarbamoylamino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[(2-pyrazol-1-yl-4-pyridyl)methylcarbamoylamino]-4-pyrrolidino-benzoic acid methyl ester Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)NCC3=CC(=NC=C3)N4C=CC=N4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)NCC3=CC(=NC=C3)N4C=CC=N4

InChI

InChI=1S/C22H24N6O3/c1-31-21(29)17-5-6-19(27-10-2-3-11-27)18(14-17)26-22(30)24-15-16-7-9-23-20(13-16)28-12-4-8-25-28/h4-9,12-14H,2-3,10-11,15H2,1H3,(H2,24,26,30)