N-[[3-(aminomethyl)cyclohexyl]methyl]-2-cyclohexyl-4-oxidanylidene-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-cyclohexyl-4-oxidanylidene-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-cyclohexyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-cyclohexyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-cyclohexyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-cyclohexyl-4-keto-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide Formula: C24H36N4O2 MolecularWeight: 412.56824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CC(=O)NC3=C(N2)C=CC(=C3)C(=O)NCC4CCCC(C4)CN

Isomeric SMILES

C1CCC(CC1)C2CC(=O)NC3=C(N2)C=CC(=C3)C(=O)NCC4CCCC(C4)CN

InChI

InChI=1S/C24H36N4O2/c25-14-16-5-4-6-17(11-16)15-26-24(30)19-9-10-20-22(12-19)28-23(29)13-21(27-20)18-7-2-1-3-8-18/h9-10,12,16-18,21,27H,1-8,11,13-15,25H2,(H,26,30)(H,28,29)