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

Systemtic Name: 1-(4-bromophenyl)-5-methyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]pyrazole-4-carboxamide Openeye Name: 1-(4-bromophenyl)-5-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pyrazole-4-carboxamide CAS Name: 1-(4-bromophenyl)-5-methyl-N-[3-(2-oxo-1-azepanyl)propyl]-4-pyrazolecarboxamide IUPAC Name: 1-(4-bromophenyl)-5-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pyrazole-4-carboxamide Traditional Name: 1-(4-bromophenyl)-N-[3-(2-ketoazepan-1-yl)propyl]-5-methyl-pyrazole-4-carboxamide Formula: C20H25BrN4O2 MolecularWeight: 433.3421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrN4O2/c1-15-18(14-23-25(15)17-9-7-16(21)8-10-17)20(27)22-11-5-13-24-12-4-2-3-6-19(24)26/h7-10,14H,2-6,11-13H2,1H3,(H,22,27)