(1-carbamimidoyl-3-pentanoyl-pyrazol-4-yl) 2-methylpropyl carbonate

Systemtic Name: (1-carbamimidoyl-3-pentanoyl-pyrazol-4-yl) 2-methylpropyl carbonate Openeye Name: (1-carbamimidoyl-3-pentanoyl-pyrazol-4-yl) isobutyl carbonate CAS Name: carbonic acid [1-carbamimidoyl-3-(1-oxopentyl)-4-pyrazolyl] 2-methylpropyl ester IUPAC Name: (1-carbamimidoyl-3-pentanoylpyrazol-4-yl) 2-methylpropyl carbonate Traditional Name: carbonic acid (1-amidino-3-valeryl-pyrazol-4-yl) isobutyl ester Formula: C14H22N4O4 MolecularWeight: 310.34888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=NN(C=C1OC(=O)OCC(C)C)C(=N)N

Isomeric SMILES

CCCCC(=O)C1=NN(C=C1OC(=O)OCC(C)C)C(=N)N

InChI

InChI=1S/C14H22N4O4/c1-4-5-6-10(19)12-11(7-18(17-12)13(15)16)22-14(20)21-8-9(2)3/h7,9H,4-6,8H2,1-3H3,(H3,15,16)