N-(3-azanyl-2,2-dimethyl-propyl)-1-(1,3-benzodioxol-5-ylcarbonyl)-2-cyclohexyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-(3-azanyl-2,2-dimethyl-propyl)-1-(1,3-benzodioxol-5-ylcarbonyl)-2-cyclohexyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(3-amino-2,2-dimethyl-propyl)-1-(1,3-benzodioxole-5-carbonyl)-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(3-amino-2,2-dimethylpropyl)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(3-amino-2,2-dimethylpropyl)-1-(1,3-benzodioxole-5-carbonyl)-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(3-amino-2,2-dimethyl-propyl)-2-cyclohexyl-4-keto-1-piperonyloyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C29H36N4O5 MolecularWeight: 520.61994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)CNC(=O)C1=CC2=C(C=C1)N(C(CC(=O)N2)C3CCCCC3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(CN)CNC(=O)C1=CC2=C(C=C1)N(C(CC(=O)N2)C3CCCCC3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H36N4O5/c1-29(2,15-30)16-31-27(35)19-8-10-22-21(12-19)32-26(34)14-23(18-6-4-3-5-7-18)33(22)28(36)20-9-11-24-25(13-20)38-17-37-24/h8-13,18,23H,3-7,14-17,30H2,1-2H3,(H,31,35)(H,32,34)