3-[7-chloranyl-5-(2-chlorophenyl)-2-oxidanylidene-1-propyl-5H-4,1-benzoxazepin-3-yl]-2-oxidanyl-propanenitrile

Systemtic Name: 3-[7-chloranyl-5-(2-chlorophenyl)-2-oxidanylidene-1-propyl-5H-4,1-benzoxazepin-3-yl]-2-oxidanyl-propanenitrile Openeye Name: 3-[7-chloro-5-(2-chlorophenyl)-2-oxo-1-propyl-5H-4,1-benzoxazepin-3-yl]-2-hydroxy-propanenitrile CAS Name: 3-[7-chloro-5-(2-chlorophenyl)-2-oxo-1-propyl-5H-4,1-benzoxazepin-3-yl]-2-hydroxypropanenitrile IUPAC Name: 3-[7-chloro-5-(2-chlorophenyl)-2-oxo-1-propyl-5H-4,1-benzoxazepin-3-yl]-2-hydroxypropanenitrile Traditional Name: 3-[7-chloro-5-(2-chlorophenyl)-2-keto-1-propyl-5H-4,1-benzoxazepin-3-yl]-2-hydroxy-propionitrile Formula: C21H20Cl2N2O3 MolecularWeight: 419.3011

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(C#N)O)C3=CC=CC=C3Cl

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(C#N)O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H20Cl2N2O3/c1-2-9-25-18-8-7-13(22)10-16(18)20(15-5-3-4-6-17(15)23)28-19(21(25)27)11-14(26)12-24/h3-8,10,14,19-20,26H,2,9,11H2,1H3