1-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-3-azanyl-5-(2-fluorophenyl)-9-methyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 1-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-3-azanyl-5-(2-fluorophenyl)-9-methyl-3H-1,4-benzodiazepin-2-one Openeye Name: 1-[2-(1-adamantyl)-2-oxo-ethyl]-3-amino-5-(2-fluorophenyl)-9-methyl-3H-1,4-benzodiazepin-2-one CAS Name: 1-[2-(1-adamantyl)-2-oxoethyl]-3-amino-5-(2-fluorophenyl)-9-methyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-[2-(1-adamantyl)-2-oxoethyl]-3-amino-5-(2-fluorophenyl)-9-methyl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-[2-(1-adamantyl)-2-keto-ethyl]-3-amino-5-(2-fluorophenyl)-9-methyl-3H-1,4-benzodiazepin-2-one Formula: C28H30FN3O2 MolecularWeight: 459.555103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2C3=CC=CC=C3F)N)CC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2C3=CC=CC=C3F)N)CC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H30FN3O2/c1-16-5-4-7-21-24(20-6-2-3-8-22(20)29)31-26(30)27(34)32(25(16)21)15-23(33)28-12-17-9-18(13-28)11-19(10-17)14-28/h2-8,17-19,26H,9-15,30H2,1H3