N-[(4-tert-butylphenyl)methyl]-6-chloranyl-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-6-chloranyl-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: N-[(4-tert-butylphenyl)methyl]-6-chloro-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: N-[(4-tert-butylphenyl)methyl]-6-chloro-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: N-[(4-tert-butylphenyl)methyl]-6-chloro-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: N-(4-tert-butylbenzyl)-6-chloro-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C22H26ClNO3 MolecularWeight: 387.89974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(C)C(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(C)C(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C22H26ClNO3/c1-22(2,3)17-8-6-15(7-9-17)14-24(4)21(25)16-12-18(23)20-19(13-16)26-10-5-11-27-20/h6-9,12-13H,5,10-11,14H2,1-4H3