6-chloranyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide

Systemtic Name: 6-chloranyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide Openeye Name: 6-chloro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]chromane-3-carboxamide CAS Name: 6-chloro-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide IUPAC Name: 6-chloro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide Traditional Name: 6-chloro-N-[2-(pyrazol-1-ylmethyl)benzyl]chroman-3-carboxamide Formula: C21H20ClN3O2 MolecularWeight: 381.8554

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=C1C=C(C=C2)Cl)C(=O)NCC3=CC=CC=C3CN4C=CC=N4

Isomeric SMILES

C1C(COC2=C1C=C(C=C2)Cl)C(=O)NCC3=CC=CC=C3CN4C=CC=N4

InChI

InChI=1S/C21H20ClN3O2/c22-19-6-7-20-17(11-19)10-18(14-27-20)21(26)23-12-15-4-1-2-5-16(15)13-25-9-3-8-24-25/h1-9,11,18H,10,12-14H2,(H,23,26)