8-(dimethylaminomethyl)-4-oxidanyl-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 8-(dimethylaminomethyl)-4-oxidanyl-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 8-(dimethylaminomethyl)-4-hydroxy-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 8-(dimethylaminomethyl)-4-hydroxy-3-(1-phenyl-4-pyrazolyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 8-(dimethylaminomethyl)-4-hydroxy-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 8-(dimethylaminomethyl)-4-hydroxy-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C21H23N3O3 MolecularWeight: 365.42562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1C2C(=C(C(=CO2)C3=CN(N=C3)C4=CC=CC=C4)O)CCC1=O

Isomeric SMILES

CN(C)CC1C2C(=C(C(=CO2)C3=CN(N=C3)C4=CC=CC=C4)O)CCC1=O

InChI

InChI=1S/C21H23N3O3/c1-23(2)12-17-19(25)9-8-16-20(26)18(13-27-21(16)17)14-10-22-24(11-14)15-6-4-3-5-7-15/h3-7,10-11,13,17,21,26H,8-9,12H2,1-2H3