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

Systemtic Name: 6-chloranyl-N-[(4-cyanophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[(4-cyanophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[(4-cyanophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[(4-cyanophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-(4-cyanobenzyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C18H15ClN2O3 MolecularWeight: 342.7763

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NCC3=CC=C(C=C3)C#N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NCC3=CC=C(C=C3)C#N)Cl)OC1

InChI

InChI=1S/C18H15ClN2O3/c19-15-8-14(9-16-17(15)24-7-1-6-23-16)18(22)21-11-13-4-2-12(10-20)3-5-13/h2-5,8-9H,1,6-7,11H2,(H,21,22)