(3S)-6-chloranyl-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

Systemtic Name: (3S)-6-chloranyl-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide Openeye Name: (3S)-6-chloro-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]chromane-3-carboxamide CAS Name: (3S)-6-chloro-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide IUPAC Name: (3S)-6-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide Traditional Name: (3S)-6-chloro-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]chroman-3-carboxamide Formula: C22H22ClN3O2 MolecularWeight: 395.88198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)[C@H]3CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C22H22ClN3O2/c1-14-20(15(2)26(25-14)19-6-4-3-5-7-19)12-24-22(27)17-10-16-11-18(23)8-9-21(16)28-13-17/h3-9,11,17H,10,12-13H2,1-2H3,(H,24,27)/t17-/m0/s1