2-[2-(10-chloranyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(10-chloranyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(10-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-(10-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(10-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(10-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)ethyl]isoindoline-1,3-quinone Formula: C26H18ClN5O2 MolecularWeight: 467.90642

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=NN=C(N2C3=C(C=CC=C3Cl)C(=N1)C4=CC=CC=C4)CCN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1C2=NN=C(N2C3=C(C=CC=C3Cl)C(=N1)C4=CC=CC=C4)CCN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C26H18ClN5O2/c27-20-12-6-11-19-23(16-7-2-1-3-8-16)28-15-22-30-29-21(32(22)24(19)20)13-14-31-25(33)17-9-4-5-10-18(17)26(31)34/h1-12H,13-15H2