N-[3-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[3-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxamide Openeye Name: N-[3-(2-amino-2-oxo-ethoxy)phenyl]-1-butyl-5-chloro-3-methyl-pyrazole-4-carboxamide CAS Name: N-[3-(2-amino-2-oxoethoxy)phenyl]-1-butyl-5-chloro-3-methyl-4-pyrazolecarboxamide IUPAC Name: N-[3-(2-amino-2-oxoethoxy)phenyl]-1-butyl-5-chloro-3-methylpyrazole-4-carboxamide Traditional Name: N-[3-(2-amino-2-keto-ethoxy)phenyl]-1-butyl-5-chloro-3-methyl-pyrazole-4-carboxamide Formula: C17H21ClN4O3 MolecularWeight: 364.82664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)NC2=CC(=CC=C2)OCC(=O)N)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)NC2=CC(=CC=C2)OCC(=O)N)Cl

InChI

InChI=1S/C17H21ClN4O3/c1-3-4-8-22-16(18)15(11(2)21-22)17(24)20-12-6-5-7-13(9-12)25-10-14(19)23/h5-7,9H,3-4,8,10H2,1-2H3,(H2,19,23)(H,20,24)