5-chloranyl-1,3-dimethyl-N-[3-[(1S)-1-phenylethoxy]propyl]pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-1,3-dimethyl-N-[3-[(1S)-1-phenylethoxy]propyl]pyrazole-4-carboxamide Openeye Name: 5-chloro-1,3-dimethyl-N-[3-[(1S)-1-phenylethoxy]propyl]pyrazole-4-carboxamide CAS Name: 5-chloro-1,3-dimethyl-N-[3-[(1S)-1-phenylethoxy]propyl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-1,3-dimethyl-N-[3-[(1S)-1-phenylethoxy]propyl]pyrazole-4-carboxamide Traditional Name: 5-chloro-1,3-dimethyl-N-[3-[(1S)-1-phenylethoxy]propyl]pyrazole-4-carboxamide Formula: C17H22ClN3O2 MolecularWeight: 335.82848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCCCOC(C)C2=CC=CC=C2)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCCCO[C@@H](C)C2=CC=CC=C2)Cl)C

InChI

InChI=1S/C17H22ClN3O2/c1-12-15(16(18)21(3)20-12)17(22)19-10-7-11-23-13(2)14-8-5-4-6-9-14/h4-6,8-9,13H,7,10-11H2,1-3H3,(H,19,22)/t13-/m0/s1