N,5-dimethyl-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N,5-dimethyl-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[(1-benzylpyrazol-4-yl)methyl]-N,5-dimethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N,5-dimethyl-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(1-benzylpyrazol-4-yl)methyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[(1-benzylpyrazol-4-yl)methyl]-N,5-dimethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)N(C)CC3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)N(C)CC3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3OS/c1-16-8-9-20-19(10-16)11-21(27-20)22(26)24(2)13-18-12-23-25(15-18)14-17-6-4-3-5-7-17/h3-7,11-12,15-16H,8-10,13-14H2,1-2H3