3,5-dimethyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-3,5-dimethyl-N-[3-(2-oxoazepan-1-yl)propyl]pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-N-[3-(2-oxo-1-azepanyl)propyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3,5-dimethyl-N-[3-(2-oxoazepan-1-yl)propyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[3-(2-ketoazepan-1-yl)propyl]-3,5-dimethyl-pyrazole-4-carboxamide Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCCCN3CCCCCC3=O

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCCCN3CCCCCC3=O

InChI

InChI=1S/C22H30N4O2/c1-17-21(18(2)26(24-17)16-19-10-5-3-6-11-19)22(28)23-13-9-15-25-14-8-4-7-12-20(25)27/h3,5-6,10-11H,4,7-9,12-16H2,1-2H3,(H,23,28)