4-cyano-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]benzamide

Systemtic Name: 4-cyano-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]benzamide Openeye Name: 4-cyano-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]benzamide CAS Name: 4-cyano-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]benzamide IUPAC Name: 4-cyano-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]benzamide Traditional Name: 4-cyano-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]benzamide Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H22N2O3/c1-14(2)20(23-21(24)16-6-4-15(13-22)5-7-16)17-8-9-18-19(12-17)26-11-3-10-25-18/h4-9,12,14,20H,3,10-11H2,1-2H3,(H,23,24)