N-[4-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-4-oxidanylidene-butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-4-oxidanylidene-butyl]thiophene-3-carboxamide Openeye Name: N-[4-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-4-oxo-butyl]thiophene-3-carboxamide CAS Name: N-[4-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methylamino]-4-oxobutyl]-3-thiophenecarboxamide IUPAC Name: N-[4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-oxobutyl]thiophene-3-carboxamide Traditional Name: N-[4-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-4-keto-butyl]thiophene-3-carboxamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CCCNC(=O)C3=CSC=C3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CCCNC(=O)C3=CSC=C3

InChI

InChI=1S/C22H26N4O2S/c1-16-20(17(2)26(25-16)14-18-7-4-3-5-8-18)13-24-21(27)9-6-11-23-22(28)19-10-12-29-15-19/h3-5,7-8,10,12,15H,6,9,11,13-14H2,1-2H3,(H,23,28)(H,24,27)