N-[4-chloranyl-2-(cyclohexylmethylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[4-chloranyl-2-(cyclohexylmethylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[4-chloro-2-[(cyclohexylmethylamino)-oxomethyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C24H27ClN2O4 MolecularWeight: 442.93518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCC(CC1)CNC(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H27ClN2O4/c25-18-8-9-20(19(14-18)24(29)26-15-16-5-2-1-3-6-16)27-23(28)17-7-10-21-22(13-17)31-12-4-11-30-21/h7-10,13-14,16H,1-6,11-12,15H2,(H,26,29)(H,27,28)