N-[4-(azepan-1-ylcarbonyl)-2-phenyl-pyrazol-3-yl]thiophene-2-carboxamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)-2-phenyl-pyrazol-3-yl]thiophene-2-carboxamide Openeye Name: N-[4-(azepane-1-carbonyl)-2-phenyl-pyrazol-3-yl]thiophene-2-carboxamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]-2-phenyl-3-pyrazolyl]-2-thiophenecarboxamide IUPAC Name: N-[4-(azepane-1-carbonyl)-2-phenylpyrazol-3-yl]thiophene-2-carboxamide Traditional Name: N-[4-(azepane-1-carbonyl)-2-phenyl-pyrazol-3-yl]thiophene-2-carboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H22N4O2S/c26-20(18-11-8-14-28-18)23-19-17(21(27)24-12-6-1-2-7-13-24)15-22-25(19)16-9-4-3-5-10-16/h3-5,8-11,14-15H,1-2,6-7,12-13H2,(H,23,26)