6-chloranyl-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-1-(phenylmethyl)quinoxalin-2-one

Systemtic Name: 6-chloranyl-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-1-(phenylmethyl)quinoxalin-2-one Openeye Name: 1-benzyl-6-chloro-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]quinoxalin-2-one CAS Name: 6-chloro-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-1-(phenylmethyl)-2-quinoxalinone IUPAC Name: 1-benzyl-6-chloro-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]quinoxalin-2-one Traditional Name: 1-benzyl-6-chloro-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]quinoxalin-2-one Formula: C27H24ClN3O2 MolecularWeight: 457.95136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCC3=NC4=C(C=CC(=C4)Cl)N(C3=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCC3=NC4=C(C=CC(=C4)Cl)N(C3=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H24ClN3O2/c28-22-10-12-25-24(16-22)29-23(27(33)31(25)17-19-6-2-1-3-7-19)11-13-26(32)30-15-14-20-8-4-5-9-21(20)18-30/h1-10,12,16H,11,13-15,17-18H2