tert-butyl N-(7-methyl-4-oxidanylidene-1-pyridin-2-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-3-yl)carbamate

Systemtic Name: tert-butyl N-(7-methyl-4-oxidanylidene-1-pyridin-2-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-3-yl)carbamate Openeye Name: tert-butyl N-[7-methyl-4-oxo-1-(pyridine-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[7-methyl-4-oxo-1-[oxo(2-pyridinyl)methyl]-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[7-methyl-4-oxo-1-(pyridine-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-(4-keto-7-methyl-1-picolinoyl-3,5-dihydro-2H-1,5-benzodiazepin-3-yl)carbamic acid tert-butyl ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(C(=O)N2)NC(=O)OC(C)(C)C)C(=O)C3=CC=CC=N3

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2)NC(=O)OC(C)(C)C)C(=O)C3=CC=CC=N3

InChI

InChI=1S/C21H24N4O4/c1-13-8-9-17-15(11-13)23-18(26)16(24-20(28)29-21(2,3)4)12-25(17)19(27)14-7-5-6-10-22-14/h5-11,16H,12H2,1-4H3,(H,23,26)(H,24,28)