1-(1-adamantylcarbonyl)-3-azanyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2,3-dihydro-1,5-benzodiazepin-4-one

Systemtic Name: 1-(1-adamantylcarbonyl)-3-azanyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2,3-dihydro-1,5-benzodiazepin-4-one Openeye Name: 1-(adamantane-1-carbonyl)-3-amino-5-[2-(o-tolyl)-2-oxo-ethyl]-2,3-dihydro-1,5-benzodiazepin-4-one CAS Name: 1-[1-adamantyl(oxo)methyl]-3-amino-5-[2-(2-methylphenyl)-2-oxoethyl]-2,3-dihydro-1,5-benzodiazepin-4-one IUPAC Name: 1-(adamantane-1-carbonyl)-3-amino-5-[2-(2-methylphenyl)-2-oxoethyl]-2,3-dihydro-1,5-benzodiazepin-4-one Traditional Name: 1-(adamantane-1-carbonyl)-3-amino-5-[2-keto-2-(o-tolyl)ethyl]-2,3-dihydro-1,5-benzodiazepin-4-one Formula: C29H33N3O3 MolecularWeight: 471.59062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3N(CC(C2=O)N)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3N(CC(C2=O)N)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H33N3O3/c1-18-6-2-3-7-22(18)26(33)17-31-24-8-4-5-9-25(24)32(16-23(30)27(31)34)28(35)29-13-19-10-20(14-29)12-21(11-19)15-29/h2-9,19-21,23H,10-17,30H2,1H3