2-[2-[6-chloranyl-4-(methylamino)-3-phenylmethoxy-1H-cinnolin-2-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[6-chloranyl-4-(methylamino)-3-phenylmethoxy-1H-cinnolin-2-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[3-benzyloxy-6-chloro-4-(methylamino)-1H-cinnolin-2-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[6-chloro-4-(methylamino)-3-phenylmethoxy-1H-cinnolin-2-yl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[6-chloro-4-(methylamino)-3-phenylmethoxy-1H-cinnolin-2-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-[3-benzoxy-6-chloro-4-(methylamino)-1H-cinnolin-2-yl]-2-keto-ethyl]isoindoline-1,3-quinone Formula: C26H21ClN4O4 MolecularWeight: 488.92234

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(N(NC2=C1C=C(C=C2)Cl)C(=O)CN3C(=O)C4=CC=CC=C4C3=O)OCC5=CC=CC=C5

Isomeric SMILES

CNC1=C(N(NC2=C1C=C(C=C2)Cl)C(=O)CN3C(=O)C4=CC=CC=C4C3=O)OCC5=CC=CC=C5

InChI

InChI=1S/C26H21ClN4O4/c1-28-23-20-13-17(27)11-12-21(20)29-31(26(23)35-15-16-7-3-2-4-8-16)22(32)14-30-24(33)18-9-5-6-10-19(18)25(30)34/h2-13,28-29H,14-15H2,1H3