N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

Systemtic Name: N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide Openeye Name: N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide CAS Name: N-[2-(1-phenyl-4-pyrazolyl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide IUPAC Name: N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide Traditional Name: N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2)C(=O)NCCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2)C(=O)NCCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3OS/c25-21(20-13-17-7-3-1-6-10-19(17)26-20)22-12-11-16-14-23-24(15-16)18-8-4-2-5-9-18/h2,4-5,8-9,13-15H,1,3,6-7,10-12H2,(H,22,25)