N-[4-(cyanomethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[4-(cyanomethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[4-(cyanomethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C18H16N2O3 MolecularWeight: 308.33124

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)CC#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)CC#N)OC1

InChI

InChI=1S/C18H16N2O3/c19-9-8-13-2-5-15(6-3-13)20-18(21)14-4-7-16-17(12-14)23-11-1-10-22-16/h2-7,12H,1,8,10-11H2,(H,20,21)