3-[7-chloranyl-5-(2-chlorophenyl)-2-oxidanylidene-1-(phenylmethyl)-5H-4,1-benzoxazepin-3-yl]propanal

Systemtic Name: 3-[7-chloranyl-5-(2-chlorophenyl)-2-oxidanylidene-1-(phenylmethyl)-5H-4,1-benzoxazepin-3-yl]propanal Openeye Name: 3-[1-benzyl-7-chloro-5-(2-chlorophenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]propanal CAS Name: 3-[7-chloro-5-(2-chlorophenyl)-2-oxo-1-(phenylmethyl)-5H-4,1-benzoxazepin-3-yl]propanal IUPAC Name: 3-[1-benzyl-7-chloro-5-(2-chlorophenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]propanal Traditional Name: 3-[1-benzyl-7-chloro-5-(2-chlorophenyl)-2-keto-5H-4,1-benzoxazepin-3-yl]propionaldehyde Formula: C25H21Cl2NO3 MolecularWeight: 454.34514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(OC(C2=O)CCC=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(OC(C2=O)CCC=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C25H21Cl2NO3/c26-18-12-13-22-20(15-18)24(19-9-4-5-10-21(19)27)31-23(11-6-14-29)25(30)28(22)16-17-7-2-1-3-8-17/h1-5,7-10,12-15,23-24H,6,11,16H2