4-[4-(3-phenylpropanoylamino)pyrazol-1-yl]butanoate

Systemtic Name: 4-[4-(3-phenylpropanoylamino)pyrazol-1-yl]butanoate Openeye Name: 4-[4-(3-phenylpropanoylamino)pyrazol-1-yl]butanoate CAS Name: 4-[4-[(1-oxo-3-phenylpropyl)amino]-1-pyrazolyl]butanoate IUPAC Name: 4-[4-(3-phenylpropanoylamino)pyrazol-1-yl]butanoate Traditional Name: 4-[4-(hydrocinnamoylamino)pyrazol-1-yl]butyrate Formula: C16H18N3O3- MolecularWeight: 300.33242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CN(N=C2)CCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CN(N=C2)CCCC(=O)[O-]

InChI

InChI=1S/C16H19N3O3/c20-15(9-8-13-5-2-1-3-6-13)18-14-11-17-19(12-14)10-4-7-16(21)22/h1-3,5-6,11-12H,4,7-10H2,(H,18,20)(H,21,22)/p-1