N-[[5-[5-azanyl-3-(pyridin-4-ylmethylcarbamoylamino)-1H-pyrazol-4-yl]-2-chloranyl-phenyl]methyl]-2-methyl-3-oxidanyl-propanamide

Systemtic Name: N-[[5-[5-azanyl-3-(pyridin-4-ylmethylcarbamoylamino)-1H-pyrazol-4-yl]-2-chloranyl-phenyl]methyl]-2-methyl-3-oxidanyl-propanamide Openeye Name: N-[[5-[5-amino-3-(4-pyridylmethylcarbamoylamino)-1H-pyrazol-4-yl]-2-chloro-phenyl]methyl]-3-hydroxy-2-methyl-propanamide CAS Name: N-[[5-[5-amino-3-[[oxo-(pyridin-4-ylmethylamino)methyl]amino]-1H-pyrazol-4-yl]-2-chlorophenyl]methyl]-3-hydroxy-2-methylpropanamide IUPAC Name: N-[[5-[5-amino-3-(pyridin-4-ylmethylcarbamoylamino)-1H-pyrazol-4-yl]-2-chlorophenyl]methyl]-3-hydroxy-2-methylpropanamide Traditional Name: N-[5-[5-amino-3-(4-pyridylmethylcarbamoylamino)-1H-pyrazol-4-yl]-2-chloro-benzyl]-3-hydroxy-2-methyl-propionamide Formula: C21H24ClN7O3 MolecularWeight: 457.91336

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C(=O)NCC1=C(C=CC(=C1)C2=C(NN=C2NC(=O)NCC3=CC=NC=C3)N)Cl

Isomeric SMILES

CC(CO)C(=O)NCC1=C(C=CC(=C1)C2=C(NN=C2NC(=O)NCC3=CC=NC=C3)N)Cl

InChI

InChI=1S/C21H24ClN7O3/c1-12(11-30)20(31)25-10-15-8-14(2-3-16(15)22)17-18(23)28-29-19(17)27-21(32)26-9-13-4-6-24-7-5-13/h2-8,12,30H,9-11H2,1H3,(H,25,31)(H5,23,26,27,28,29,32)