3-chloranyl-4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]amino]-1-phenethyl-pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]amino]-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-chloro-4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)anilino]-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-chloro-4-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]anilino]-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-chloro-4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)anilino]-1-phenethylpyrrole-2,5-dione Traditional Name: 3-chloro-4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)anilino]-1-phenethyl-3-pyrroline-2,5-quinone Formula: C28H24ClN3O3 MolecularWeight: 485.96146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)NC4=C(C(=O)N(C4=O)CCC5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)NC4=C(C(=O)N(C4=O)CCC5=CC=CC=C5)Cl

InChI

InChI=1S/C28H24ClN3O3/c29-24-25(28(35)32(27(24)34)17-14-19-6-2-1-3-7-19)30-23-12-10-21(11-13-23)26(33)31-16-15-20-8-4-5-9-22(20)18-31/h1-13,30H,14-18H2