2-methyl-N-[3-(phenylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyrazole-3-carboxamide

Systemtic Name: 2-methyl-N-[3-(phenylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyrazole-3-carboxamide Openeye Name: 2-methyl-N-[3-(phenylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyrazole-3-carboxamide CAS Name: N-[3-[anilino(oxo)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: 2-methyl-N-[3-(phenylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyrazole-3-carboxamide Traditional Name: 2-methyl-N-[3-(phenylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyrazole-3-carboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CN1C(=CC=N1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S/c1-25-16(12-13-22-25)19(26)24-21-18(15-10-6-3-7-11-17(15)28-21)20(27)23-14-8-4-2-5-9-14/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H,23,27)(H,24,26)