ethyl N-[1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: ethyl N-[1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: ethyl N-[1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(2-pyridinyl)-3H-1,4-benzodiazepin-3-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[2-keto-1-(2-keto-3,3-dimethyl-butyl)-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]carbamic acid ethyl ester Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=N3)CC(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=N3)CC(=O)C(C)(C)C

InChI

InChI=1S/C23H26N4O4/c1-5-31-22(30)26-20-21(29)27(14-18(28)23(2,3)4)17-12-7-6-10-15(17)19(25-20)16-11-8-9-13-24-16/h6-13,20H,5,14H2,1-4H3,(H,26,30)