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

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(propan-2-yloxymethyl)benzamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(isopropoxymethyl)benzamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(propan-2-yloxymethyl)benzamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(propan-2-yloxymethyl)benzamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(isopropoxymethyl)benzamide Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1=CC=C(C=C1)C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC(C)OCC1=CC=C(C=C1)C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C21H24ClNO4/c1-14(2)27-13-15-4-6-17(7-5-15)21(24)23-12-16-10-18(22)20-19(11-16)25-8-3-9-26-20/h4-7,10-11,14H,3,8-9,12-13H2,1-2H3,(H,23,24)