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

Systemtic Name: N-(2-azanylcyclohexyl)-1-(1,3-benzodioxol-5-ylcarbonyl)-2-cyclohexyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminocyclohexyl)-1-(1,3-benzodioxole-5-carbonyl)-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminocyclohexyl)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminocyclohexyl)-1-(1,3-benzodioxole-5-carbonyl)-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminocyclohexyl)-2-cyclohexyl-4-keto-1-piperonyloyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C30H36N4O5 MolecularWeight: 532.63064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC5=C(C=C4)OCO5)C=CC(=C3)C(=O)NC6CCCCC6N

Isomeric SMILES

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC5=C(C=C4)OCO5)C=CC(=C3)C(=O)NC6CCCCC6N

InChI

InChI=1S/C30H36N4O5/c31-21-8-4-5-9-22(21)33-29(36)19-10-12-24-23(14-19)32-28(35)16-25(18-6-2-1-3-7-18)34(24)30(37)20-11-13-26-27(15-20)39-17-38-26/h10-15,18,21-22,25H,1-9,16-17,31H2,(H,32,35)(H,33,36)