4-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]-2-[(3S)-2-oxidanylideneazepan-3-yl]isoindole-1,3-dione

Systemtic Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]-2-[(3S)-2-oxidanylideneazepan-3-yl]isoindole-1,3-dione Openeye Name: 4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-piperidyl]-2-[(3S)-2-oxoazepan-3-yl]isoindoline-1,3-dione CAS Name: 4-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-piperidinyl]-2-[(3S)-2-oxo-3-azepanyl]isoindole-1,3-dione IUPAC Name: 4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-[(3S)-2-oxoazepan-3-yl]isoindole-1,3-dione Traditional Name: 4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidino]-2-[(3S)-2-ketoazepan-3-yl]isoindoline-1,3-quinone Formula: C29H32N4O4 MolecularWeight: 500.58878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCC(CC4)C(=O)N5CCC6=CC=CC=C6C5

Isomeric SMILES

C1CCNC(=O)[C@H](C1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCC(CC4)C(=O)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C29H32N4O4/c34-26-24(9-3-4-14-30-26)33-28(36)22-8-5-10-23(25(22)29(33)37)31-15-12-20(13-16-31)27(35)32-17-11-19-6-1-2-7-21(19)18-32/h1-2,5-8,10,20,24H,3-4,9,11-18H2,(H,30,34)/t24-/m0/s1