N-[(4-chloranyl-1-methyl-pyrazol-3-yl)methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cycloheptanecarboxamide

Systemtic Name: N-[(4-chloranyl-1-methyl-pyrazol-3-yl)methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cycloheptanecarboxamide Openeye Name: N-[(4-chloro-1-methyl-pyrazol-3-yl)methyl]-N-(2,3-dihydrobenzofuran-5-ylmethyl)cycloheptanecarboxamide CAS Name: N-[(4-chloro-1-methyl-3-pyrazolyl)methyl]-N-(2,3-dihydrobenzofuran-5-ylmethyl)cycloheptanecarboxamide IUPAC Name: N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cycloheptanecarboxamide Traditional Name: N-[(4-chloro-1-methyl-pyrazol-3-yl)methyl]-N-(coumaran-5-ylmethyl)cycloheptanecarboxamide Formula: C22H28ClN3O2 MolecularWeight: 401.92962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)CN(CC2=CC3=C(C=C2)OCC3)C(=O)C4CCCCCC4)Cl

Isomeric SMILES

CN1C=C(C(=N1)CN(CC2=CC3=C(C=C2)OCC3)C(=O)C4CCCCCC4)Cl

InChI

InChI=1S/C22H28ClN3O2/c1-25-14-19(23)20(24-25)15-26(22(27)17-6-4-2-3-5-7-17)13-16-8-9-21-18(12-16)10-11-28-21/h8-9,12,14,17H,2-7,10-11,13,15H2,1H3