N-(1-cyanocyclohexyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-methyl-propanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-methyl-propanamide Openeye Name: N-(1-cyanocyclohexyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-methyl-propanamide CAS Name: N-(1-cyanocyclohexyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-methylpropanamide IUPAC Name: N-(1-cyanocyclohexyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-methylpropanamide Traditional Name: N-(1-cyanocyclohexyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-methyl-propionamide Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C(=O)N(C)C1(CCCCC1)C#N)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H27N3O3/c1-15(19(24)23(2)20(14-21)9-4-3-5-10-20)22-16-7-8-17-18(13-16)26-12-6-11-25-17/h7-8,13,15,22H,3-6,9-12H2,1-2H3