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

Systemtic Name: N-[2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-2-oxidanylidene-ethyl]-3-methyl-benzamide Openeye Name: N-[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-2-oxo-ethyl]-3-methyl-benzamide CAS Name: N-[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-2-oxoethyl]-3-methylbenzamide IUPAC Name: N-[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-2-oxoethyl]-3-methylbenzamide Traditional Name: N-[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-2-keto-ethyl]-3-methyl-benzamide Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C20H21ClN2O4/c1-13-4-2-5-15(8-13)20(25)23-12-18(24)22-11-14-9-16(21)19-17(10-14)26-6-3-7-27-19/h2,4-5,8-10H,3,6-7,11-12H2,1H3,(H,22,24)(H,23,25)