5-chloranyl-3-methyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 5-chloro-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-N-[3-(2-oxo-1-azepanyl)propyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 5-chloro-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 5-chloro-N-[3-(2-ketoazepan-1-yl)propyl]-3-methyl-1-phenyl-pyrazole-4-carboxamide Formula: C20H25ClN4O2 MolecularWeight: 388.8911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCCCN2CCCCCC2=O)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCCCN2CCCCCC2=O)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H25ClN4O2/c1-15-18(19(21)25(23-15)16-9-4-2-5-10-16)20(27)22-12-8-14-24-13-7-3-6-11-17(24)26/h2,4-5,9-10H,3,6-8,11-14H2,1H3,(H,22,27)