(4aR,8aR)-2-(phenylmethyl)-4a-pyrrolidin-1-ylcarbonyl-1,4,8,8a-tetrahydroisoquinoline-3,7-dione

Systemtic Name: (4aR,8aR)-2-(phenylmethyl)-4a-pyrrolidin-1-ylcarbonyl-1,4,8,8a-tetrahydroisoquinoline-3,7-dione Openeye Name: (4aR,8aR)-2-benzyl-4a-(pyrrolidine-1-carbonyl)-1,4,8,8a-tetrahydroisoquinoline-3,7-dione CAS Name: (4aR,8aR)-4a-[oxo(1-pyrrolidinyl)methyl]-2-(phenylmethyl)-1,4,8,8a-tetrahydroisoquinoline-3,7-dione IUPAC Name: (4aR,8aR)-2-benzyl-4a-(pyrrolidine-1-carbonyl)-1,4,8,8a-tetrahydroisoquinoline-3,7-dione Traditional Name: (4aR,8aR)-2-benzyl-4a-(pyrrolidine-1-carbonyl)-1,4,8,8a-tetrahydroisoquinoline-3,7-quinone Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C23CC(=O)N(CC2CC(=O)C=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)[C@@]23CC(=O)N(C[C@@H]2CC(=O)C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N2O3/c24-18-8-9-21(20(26)22-10-4-5-11-22)13-19(25)23(15-17(21)12-18)14-16-6-2-1-3-7-16/h1-3,6-9,17H,4-5,10-15H2/t17-,21-/m0/s1