1-[2-(3-azabicyclo[3.2.2]nonan-3-yl)-2-oxidanylidene-ethyl]-3-azanyl-5-cyclohexyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 1-[2-(3-azabicyclo[3.2.2]nonan-3-yl)-2-oxidanylidene-ethyl]-3-azanyl-5-cyclohexyl-3H-1,4-benzodiazepin-2-one Openeye Name: 3-amino-1-[2-(3-azabicyclo[3.2.2]nonan-3-yl)-2-oxo-ethyl]-5-cyclohexyl-3H-1,4-benzodiazepin-2-one CAS Name: 3-amino-1-[2-(3-azabicyclo[3.2.2]nonan-3-yl)-2-oxoethyl]-5-cyclohexyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-1-[2-(3-azabicyclo[3.2.2]nonan-3-yl)-2-oxoethyl]-5-cyclohexyl-3H-1,4-benzodiazepin-2-one Traditional Name: 3-amino-1-[2-(3-azabicyclo[3.2.2]nonan-3-yl)-2-keto-ethyl]-5-cyclohexyl-3H-1,4-benzodiazepin-2-one Formula: C25H34N4O2 MolecularWeight: 422.56306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(=O)N4CC5CCC(C4)CC5)N

Isomeric SMILES

C1CCC(CC1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(=O)N4CC5CCC(C4)CC5)N

InChI

InChI=1S/C25H34N4O2/c26-24-25(31)29(16-22(30)28-14-17-10-11-18(15-28)13-12-17)21-9-5-4-8-20(21)23(27-24)19-6-2-1-3-7-19/h4-5,8-9,17-19,24H,1-3,6-7,10-16,26H2