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

Systemtic Name: 2-[7-chloranyl-5-(2-chlorophenyl)-1-(2-methylpropyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanal Openeye Name: 2-[7-chloro-5-(2-chlorophenyl)-1-isobutyl-2-oxo-5H-4,1-benzoxazepin-3-yl]acetaldehyde CAS Name: 2-[7-chloro-5-(2-chlorophenyl)-1-(2-methylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetaldehyde IUPAC Name: 2-[7-chloro-5-(2-chlorophenyl)-1-(2-methylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetaldehyde Traditional Name: 2-[7-chloro-5-(2-chlorophenyl)-1-isobutyl-2-keto-5H-4,1-benzoxazepin-3-yl]acetaldehyde Formula: C21H21Cl2NO3 MolecularWeight: 406.30234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H21Cl2NO3/c1-13(2)12-24-18-8-7-14(22)11-16(18)20(15-5-3-4-6-17(15)23)27-19(9-10-25)21(24)26/h3-8,10-11,13,19-20H,9,12H2,1-2H3