2-[3-(7-chloranyl-2-oxidanylidene-5-phenyl-3-propyl-3H-1,4-benzodiazepin-1-yl)propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(7-chloranyl-2-oxidanylidene-5-phenyl-3-propyl-3H-1,4-benzodiazepin-1-yl)propyl]isoindole-1,3-dione Openeye Name: 2-[3-(7-chloro-2-oxo-5-phenyl-3-propyl-3H-1,4-benzodiazepin-1-yl)propyl]isoindoline-1,3-dione CAS Name: 2-[3-(7-chloro-2-oxo-5-phenyl-3-propyl-3H-1,4-benzodiazepin-1-yl)propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(7-chloro-2-oxo-5-phenyl-3-propyl-3H-1,4-benzodiazepin-1-yl)propyl]isoindole-1,3-dione Traditional Name: 2-[3-(7-chloro-2-keto-5-phenyl-3-propyl-3H-1,4-benzodiazepin-1-yl)propyl]isoindoline-1,3-quinone Formula: C29H26ClN3O3 MolecularWeight: 499.98804

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCCC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C29H26ClN3O3/c1-2-9-24-29(36)32(16-8-17-33-27(34)21-12-6-7-13-22(21)28(33)35)25-15-14-20(30)18-23(25)26(31-24)19-10-4-3-5-11-19/h3-7,10-15,18,24H,2,8-9,16-17H2,1H3