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

Systemtic Name: N-[(4-aminocarbonylphenyl)methyl]-6-chloranyl-N-cyclopropyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: N-[(4-carbamoylphenyl)methyl]-6-chloro-N-cyclopropyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: N-[(4-carbamoylphenyl)methyl]-6-chloro-N-cyclopropyl-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: N-[(4-carbamoylphenyl)methyl]-6-chloro-N-cyclopropyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: N-(4-carbamoylbenzyl)-6-chloro-N-cyclopropyl-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C21H21ClN2O4 MolecularWeight: 400.85544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)N(CC3=CC=C(C=C3)C(=O)N)C4CC4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)N(CC3=CC=C(C=C3)C(=O)N)C4CC4)Cl)OC1

InChI

InChI=1S/C21H21ClN2O4/c22-17-10-15(11-18-19(17)28-9-1-8-27-18)21(26)24(16-6-7-16)12-13-2-4-14(5-3-13)20(23)25/h2-5,10-11,16H,1,6-9,12H2,(H2,23,25)