ethyl 5-(2-azanyl-5-chloranyl-phenyl)carbonyl-2-pentanoyl-3,4-dihydropyrazole-3-carboxylate

Systemtic Name: ethyl 5-(2-azanyl-5-chloranyl-phenyl)carbonyl-2-pentanoyl-3,4-dihydropyrazole-3-carboxylate Openeye Name: ethyl 5-(2-amino-5-chloro-benzoyl)-2-pentanoyl-3,4-dihydropyrazole-3-carboxylate CAS Name: 5-[(2-amino-5-chlorophenyl)-oxomethyl]-2-(1-oxopentyl)-3,4-dihydropyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-amino-5-chlorobenzoyl)-2-pentanoyl-3,4-dihydropyrazole-3-carboxylate Traditional Name: 5-(2-amino-5-chloro-benzoyl)-2-valeryl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C18H22ClN3O4 MolecularWeight: 379.83798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1C(CC(=N1)C(=O)C2=C(C=CC(=C2)Cl)N)C(=O)OCC

Isomeric SMILES

CCCCC(=O)N1C(CC(=N1)C(=O)C2=C(C=CC(=C2)Cl)N)C(=O)OCC

InChI

InChI=1S/C18H22ClN3O4/c1-3-5-6-16(23)22-15(18(25)26-4-2)10-14(21-22)17(24)12-9-11(19)7-8-13(12)20/h7-9,15H,3-6,10,20H2,1-2H3