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

Systemtic Name: 3-chloranyl-4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]amino]-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-chloro-4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)anilino]pyrrole-2,5-dione CAS Name: 3-chloro-4-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]anilino]-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-chloro-4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)anilino]pyrrole-2,5-dione Traditional Name: 1-benzyl-3-chloro-4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)anilino]-3-pyrroline-2,5-quinone Formula: C27H22ClN3O3 MolecularWeight: 471.93488

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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)CC5=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)CC5=CC=CC=C5)Cl

InChI

InChI=1S/C27H22ClN3O3/c28-23-24(27(34)31(26(23)33)16-18-6-2-1-3-7-18)29-22-12-10-20(11-13-22)25(32)30-15-14-19-8-4-5-9-21(19)17-30/h1-13,29H,14-17H2