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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NCCCN3CCCCCC3=O

Isomeric SMILES

CC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NCCCN3CCCCCC3=O

InChI

InChI=1S/C20H25ClN4O2/c1-15-18(14-23-25(15)17-8-5-7-16(21)13-17)20(27)22-10-6-12-24-11-4-2-3-9-19(24)26/h5,7-8,13-14H,2-4,6,9-12H2,1H3,(H,22,27)