N-[3-(azepan-1-ylsulfonyl)phenyl]-3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-benzyl-3,5-dimethyl-pyrazole-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-benzyl-3,5-dimethylpyrazole-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-benzyl-3,5-dimethyl-pyrazole-4-carboxamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H30N4O3S/c1-19-24(20(2)29(27-19)18-21-11-6-5-7-12-21)25(30)26-22-13-10-14-23(17-22)33(31,32)28-15-8-3-4-9-16-28/h5-7,10-14,17H,3-4,8-9,15-16,18H2,1-2H3,(H,26,30)