N-methyl-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-methyl-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-methyl-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)C3=CSC4=C3CCCC4

Isomeric SMILES

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)C3=CSC4=C3CCCC4

InChI

InChI=1S/C21H23N3OS/c1-23(21(25)19-15-26-20-10-6-5-9-18(19)20)12-17-11-22-24(14-17)13-16-7-3-2-4-8-16/h2-4,7-8,11,14-15H,5-6,9-10,12-13H2,1H3