dimethyl 3-[4-(hex-2-ynoylamino)pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-(hex-2-ynoylamino)pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-(hex-2-ynoylamino)pyrazol-1-yl]pentanedioate CAS Name: 3-[4-(1-oxohex-2-ynylamino)-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-(hex-2-ynoylamino)pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-(hex-2-ynoylamino)pyrazol-1-yl]glutaric acid dimethyl ester Formula: C16H21N3O5 MolecularWeight: 335.35504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC(=O)NC1=CN(N=C1)C(CC(=O)OC)CC(=O)OC

Isomeric SMILES

CCCC#CC(=O)NC1=CN(N=C1)C(CC(=O)OC)CC(=O)OC

InChI

InChI=1S/C16H21N3O5/c1-4-5-6-7-14(20)18-12-10-17-19(11-12)13(8-15(21)23-2)9-16(22)24-3/h10-11,13H,4-5,8-9H2,1-3H3,(H,18,20)