N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-5-cyclopropyl-2-phenyl-pyrazole-3-carboxamide

Systemtic Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-5-cyclopropyl-2-phenyl-pyrazole-3-carboxamide Openeye Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-5-cyclopropyl-2-phenyl-pyrazole-3-carboxamide CAS Name: N-[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]-5-cyclopropyl-2-phenyl-3-pyrazolecarboxamide IUPAC Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-5-cyclopropyl-2-phenylpyrazole-3-carboxamide Traditional Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-5-cyclopropyl-2-phenyl-pyrazole-3-carboxamide Formula: C23H28N5OS+ MolecularWeight: 422.56632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C23H27N5OS/c29-22(25-23-24-18(16-30-23)15-27-12-6-1-2-7-13-27)21-14-20(17-10-11-17)26-28(21)19-8-4-3-5-9-19/h3-5,8-9,14,16-17H,1-2,6-7,10-13,15H2,(H,24,25,29)/p+1