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

Systemtic Name: 2-[3-(7-chloranyl-5-methyl-2-oxidanylidene-5-phenyl-4,1-benzoxazepin-1-yl)propyl]isoindole-1,3-dione Openeye Name: 2-[3-(7-chloro-5-methyl-2-oxo-5-phenyl-4,1-benzoxazepin-1-yl)propyl]isoindoline-1,3-dione CAS Name: 2-[3-(7-chloro-5-methyl-2-oxo-5-phenyl-4,1-benzoxazepin-1-yl)propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(7-chloro-5-methyl-2-oxo-5-phenyl-4,1-benzoxazepin-1-yl)propyl]isoindole-1,3-dione Traditional Name: 2-[3-(7-chloro-2-keto-5-methyl-5-phenyl-4,1-benzoxazepin-1-yl)propyl]isoindoline-1,3-quinone Formula: C27H23ClN2O4 MolecularWeight: 474.93552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)Cl)N(C(=O)CO1)CCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

CC1(C2=C(C=CC(=C2)Cl)N(C(=O)CO1)CCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C27H23ClN2O4/c1-27(18-8-3-2-4-9-18)22-16-19(28)12-13-23(22)29(24(31)17-34-27)14-7-15-30-25(32)20-10-5-6-11-21(20)26(30)33/h2-6,8-13,16H,7,14-15,17H2,1H3