1-(phenylmethyl)-3-(propylcarbamoylamino)pyrazole-4-carboxylic acid

Systemtic Name: 1-(phenylmethyl)-3-(propylcarbamoylamino)pyrazole-4-carboxylic acid Openeye Name: 1-benzyl-3-(propylcarbamoylamino)pyrazole-4-carboxylic acid CAS Name: 3-[[oxo(propylamino)methyl]amino]-1-(phenylmethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-benzyl-3-(propylcarbamoylamino)pyrazole-4-carboxylic acid Traditional Name: 1-benzyl-3-(propylcarbamoylamino)pyrazole-4-carboxylic acid Formula: C15H18N4O3 MolecularWeight: 302.32842

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC1=NN(C=C1C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CCCNC(=O)NC1=NN(C=C1C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C15H18N4O3/c1-2-8-16-15(22)17-13-12(14(20)21)10-19(18-13)9-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,20,21)(H2,16,17,18,22)