tert-butyl N-[5-(1-adamantylcarbonyl)-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate

Systemtic Name: tert-butyl N-[5-(1-adamantylcarbonyl)-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[5-(adamantane-1-carbonyl)-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[5-[1-adamantyl(oxo)methyl]-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-(adamantane-1-carbonyl)-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-[5-(adamantane-1-carbonyl)-2-keto-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CN(C2=CC=CC=C2NC1=O)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)(C)OC(=O)NC1CN(C2=CC=CC=C2NC1=O)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H33N3O4/c1-24(2,3)32-23(31)27-19-14-28(20-7-5-4-6-18(20)26-21(19)29)22(30)25-11-15-8-16(12-25)10-17(9-15)13-25/h4-7,15-17,19H,8-14H2,1-3H3,(H,26,29)(H,27,31)