3-methyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-(phenylmethyl)thieno[2,3-c]pyrazole-5-carboxamide

Systemtic Name: 3-methyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-(phenylmethyl)thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: 1-benzyl-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]thieno[2,3-c]pyrazole-5-carboxamide CAS Name: 3-methyl-N-[3-(2-oxo-1-azepanyl)propyl]-1-(phenylmethyl)-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: 1-benzyl-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]thieno[2,3-c]pyrazole-5-carboxamide Traditional Name: 1-benzyl-N-[3-(2-ketoazepan-1-yl)propyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)NCCCN3CCCCCC3=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NCCCN3CCCCCC3=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O2S/c1-17-19-15-20(30-23(19)27(25-17)16-18-9-4-2-5-10-18)22(29)24-12-8-14-26-13-7-3-6-11-21(26)28/h2,4-5,9-10,15H,3,6-8,11-14,16H2,1H3,(H,24,29)