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

Systemtic Name: 2-azanyl-N-[[5-[5-azanyl-3-(pyridin-4-ylmethylcarbamoylamino)-1H-pyrazol-4-yl]-2-chloranyl-phenyl]methyl]-3-methoxy-propanamide Openeye Name: 2-amino-N-[[5-[5-amino-3-(4-pyridylmethylcarbamoylamino)-1H-pyrazol-4-yl]-2-chloro-phenyl]methyl]-3-methoxy-propanamide CAS Name: 2-amino-N-[[5-[5-amino-3-[[oxo-(pyridin-4-ylmethylamino)methyl]amino]-1H-pyrazol-4-yl]-2-chlorophenyl]methyl]-3-methoxypropanamide IUPAC Name: 2-amino-N-[[5-[5-amino-3-(pyridin-4-ylmethylcarbamoylamino)-1H-pyrazol-4-yl]-2-chlorophenyl]methyl]-3-methoxypropanamide Traditional Name: 2-amino-N-[5-[5-amino-3-(4-pyridylmethylcarbamoylamino)-1H-pyrazol-4-yl]-2-chloro-benzyl]-3-methoxy-propionamide Formula: C21H25ClN8O3 MolecularWeight: 472.928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN8O3/c1-33-11-16(23)20(31)26-10-14-8-13(2-3-15(14)22)17-18(24)29-30-19(17)28-21(32)27-9-12-4-6-25-7-5-12/h2-8,16H,9-11,23H2,1H3,(H,26,31)(H5,24,27,28,29,30,32)