1-[2-(3-azabicyclo[3.2.2]nonan-3-yl)-2-oxidanylidene-ethyl]-3-azanyl-5-cyclohexyl-9-methyl-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-9-methyl-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-9-methyl-3H-1,4-benzodiazepin-2-one CAS Name: 3-amino-1-[2-(3-azabicyclo[3.2.2]nonan-3-yl)-2-oxoethyl]-5-cyclohexyl-9-methyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-1-[2-(3-azabicyclo[3.2.2]nonan-3-yl)-2-oxoethyl]-5-cyclohexyl-9-methyl-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-9-methyl-3H-1,4-benzodiazepin-2-one Formula: C26H36N4O2 MolecularWeight: 436.58964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2C3CCCCC3)N)CC(=O)N4CC5CCC(C4)CC5

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2C3CCCCC3)N)CC(=O)N4CC5CCC(C4)CC5

InChI

InChI=1S/C26H36N4O2/c1-17-6-5-9-21-23(20-7-3-2-4-8-20)28-25(27)26(32)30(24(17)21)16-22(31)29-14-18-10-11-19(15-29)13-12-18/h5-6,9,18-20,25H,2-4,7-8,10-16,27H2,1H3