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

Systemtic Name: tert-butyl N-(1-methyl-2-oxidanylidene-5-pyridin-3-yl-3H-1,4-benzodiazepin-3-yl)carbamate Openeye Name: tert-butyl N-[1-methyl-2-oxo-5-(3-pyridyl)-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1-methyl-2-oxo-5-(3-pyridinyl)-3H-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(1-methyl-2-oxo-5-pyridin-3-yl-3H-1,4-benzodiazepin-3-yl)carbamate Traditional Name: N-[2-keto-1-methyl-5-(3-pyridyl)-3H-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CN=CC=C3)C

Isomeric SMILES

CC(C)(C)OC(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CN=CC=C3)C

InChI

InChI=1S/C20H22N4O3/c1-20(2,3)27-19(26)23-17-18(25)24(4)15-10-6-5-9-14(15)16(22-17)13-8-7-11-21-12-13/h5-12,17H,1-4H3,(H,23,26)