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

Systemtic Name: 6-chloranyl-N-cyclopropyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-cyclopropyl-N-(p-tolylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-cyclopropyl-N-(4-methylbenzyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C21H22ClNO3 MolecularWeight: 371.85728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C21H22ClNO3/c1-14-3-5-15(6-4-14)13-23(17-7-8-17)21(24)16-11-18(22)20-19(12-16)25-9-2-10-26-20/h3-6,11-12,17H,2,7-10,13H2,1H3