6-chloranyl-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C18H18ClNO3 MolecularWeight: 331.79342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C18H18ClNO3/c1-11-4-5-12(2)15(8-11)20-18(21)13-9-14(19)17-16(10-13)22-6-3-7-23-17/h4-5,8-10H,3,6-7H2,1-2H3,(H,20,21)