7-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbonylamino]heptanoate

Systemtic Name: 7-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbonylamino]heptanoate Openeye Name: 7-[[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]amino]heptanoate CAS Name: 7-[[[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]-oxomethyl]amino]heptanoate IUPAC Name: 7-[[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]amino]heptanoate Traditional Name: 7-[[1-(2-chlorobenzyl)pyrazole-4-carbonyl]amino]enanthate Formula: C18H21ClN3O3- MolecularWeight: 362.83064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=C(C=N2)C(=O)NCCCCCCC(=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=C(C=N2)C(=O)NCCCCCCC(=O)[O-])Cl

InChI

InChI=1S/C18H22ClN3O3/c19-16-8-5-4-7-14(16)12-22-13-15(11-21-22)18(25)20-10-6-2-1-3-9-17(23)24/h4-5,7-8,11,13H,1-3,6,9-10,12H2,(H,20,25)(H,23,24)/p-1