N-[3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-oxidanylidene-propyl]-2-methyl-benzamide

Systemtic Name: N-[3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-oxidanylidene-propyl]-2-methyl-benzamide Openeye Name: N-[3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-oxo-propyl]-2-methyl-benzamide CAS Name: N-[3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-oxopropyl]-2-methylbenzamide IUPAC Name: N-[3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-oxopropyl]-2-methylbenzamide Traditional Name: N-[3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-keto-propyl]-2-methyl-benzamide Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C21H23ClN2O4/c1-14-5-2-3-6-16(14)21(26)23-8-7-19(25)24-13-15-11-17(22)20-18(12-15)27-9-4-10-28-20/h2-3,5-6,11-12H,4,7-10,13H2,1H3,(H,23,26)(H,24,25)