6-methyl-2-(1-oxidanyl-3-phenyl-prop-2-ynyl)-1-piperidin-1-yl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione

Systemtic Name: 6-methyl-2-(1-oxidanyl-3-phenyl-prop-2-ynyl)-1-piperidin-1-yl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione Openeye Name: 2-(1-hydroxy-3-phenyl-prop-2-ynyl)-6-methyl-1-(1-piperidyl)-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione CAS Name: 2-(1-hydroxy-3-phenylprop-2-ynyl)-6-methyl-1-(1-piperidinyl)-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione IUPAC Name: 2-(1-hydroxy-3-phenylprop-2-ynyl)-6-methyl-1-piperidin-1-yl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione Traditional Name: 2-(1-hydroxy-3-phenyl-prop-2-ynyl)-6-methyl-1-piperidino-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-quinone Formula: C22H25N3O3 MolecularWeight: 379.4522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2C=CC(N(C2C1=O)N3CCCCC3)C(C#CC4=CC=CC=C4)O

Isomeric SMILES

CN1C(=O)C2C=CC(N(C2C1=O)N3CCCCC3)C(C#CC4=CC=CC=C4)O

InChI

InChI=1S/C22H25N3O3/c1-23-21(27)17-11-12-18(19(26)13-10-16-8-4-2-5-9-16)25(20(17)22(23)28)24-14-6-3-7-15-24/h2,4-5,8-9,11-12,17-20,26H,3,6-7,14-15H2,1H3