3,4-bis(chloranyl)-N-[4-(cyclopropylmethyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzamide

Systemtic Name: 3,4-bis(chloranyl)-N-[4-(cyclopropylmethyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzamide Openeye Name: 3,4-dichloro-N-[4-(cyclopropylmethyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide CAS Name: 3,4-dichloro-N-[4-(cyclopropylmethyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide IUPAC Name: 3,4-dichloro-N-[4-(cyclopropylmethyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide Traditional Name: 3,4-dichloro-N-[4-(cyclopropylmethyl)-3-keto-5H-1,4-benzoxazepin-7-yl]benzamide Formula: C20H18Cl2N2O3 MolecularWeight: 405.27452

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2CC3=C(C=CC(=C3)NC(=O)C4=CC(=C(C=C4)Cl)Cl)OCC2=O

Isomeric SMILES

C1CC1CN2CC3=C(C=CC(=C3)NC(=O)C4=CC(=C(C=C4)Cl)Cl)OCC2=O

InChI

InChI=1S/C20H18Cl2N2O3/c21-16-5-3-13(8-17(16)22)20(26)23-15-4-6-18-14(7-15)10-24(9-12-1-2-12)19(25)11-27-18/h3-8,12H,1-2,9-11H2,(H,23,26)