2-(1-oxidanyl-3-phenyl-propyl)-1-(pyridin-2-ylamino)-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione

Systemtic Name: 2-(1-oxidanyl-3-phenyl-propyl)-1-(pyridin-2-ylamino)-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione Openeye Name: 2-(1-hydroxy-3-phenyl-propyl)-1-(2-pyridylamino)-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione CAS Name: 2-(1-hydroxy-3-phenylpropyl)-1-(2-pyridinylamino)-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione IUPAC Name: 2-(1-hydroxy-3-phenylpropyl)-1-(pyridin-2-ylamino)-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione Traditional Name: 2-(1-hydroxy-3-phenyl-propyl)-1-(2-pyridylamino)-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-quinone Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C2C=CC3C(N2NC4=CC=CC=N4)C(=O)NC3=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(C2C=CC3C(N2NC4=CC=CC=N4)C(=O)NC3=O)O

InChI

InChI=1S/C21H22N4O3/c26-17(12-9-14-6-2-1-3-7-14)16-11-10-15-19(21(28)23-20(15)27)25(16)24-18-8-4-5-13-22-18/h1-8,10-11,13,15-17,19,26H,9,12H2,(H,22,24)(H,23,27,28)