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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)N(C)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)SC=C2C(=O)N(C)CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3OS/c1-15-8-9-18-19(14-26-20(18)10-15)21(25)23(2)12-16-11-22-24(13-16)17-6-4-3-5-7-17/h3-7,11,13-15H,8-10,12H2,1-2H3