N-(5-chloranylpyridin-2-yl)-3-(cyclohexylcarbonylamino)-1-benzofuran-2-carboxamide hydrate

Systemtic Name: N-(5-chloranylpyridin-2-yl)-3-(cyclohexylcarbonylamino)-1-benzofuran-2-carboxamide hydrate Openeye Name: N-(5-chloro-2-pyridyl)-3-(cyclohexanecarbonylamino)benzofuran-2-carboxamide hydrate CAS Name: N-(5-chloro-2-pyridinyl)-3-[[cyclohexyl(oxo)methyl]amino]-2-benzofurancarboxamide hydrate IUPAC Name: N-(5-chloropyridin-2-yl)-3-(cyclohexanecarbonylamino)-1-benzofuran-2-carboxamide hydrate Traditional Name: N-(5-chloro-2-pyridyl)-3-(cyclohexanecarbonylamino)coumarilamide hydrate Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=C(OC3=CC=CC=C32)C(=O)NC4=NC=C(C=C4)Cl.O

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=C(OC3=CC=CC=C32)C(=O)NC4=NC=C(C=C4)Cl.O

InChI

InChI=1S/C21H20ClN3O3.H2O/c22-14-10-11-17(23-12-14)24-21(27)19-18(15-8-4-5-9-16(15)28-19)25-20(26)13-6-2-1-3-7-13;/h4-5,8-13H,1-3,6-7H2,(H,25,26)(H,23,24,27);1H2