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

Systemtic Name: (phenylmethyl) N-[1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-pyridazin-3-yl-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-5-pyridazin-3-yl-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(3-pyridazinyl)-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-pyridazin-3-yl-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[2-keto-1-(2-keto-3,3-dimethyl-butyl)-5-pyridazin-3-yl-3H-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C27H27N5O4 MolecularWeight: 485.53438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)OCC3=CC=CC=C3)C4=NN=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)OCC3=CC=CC=C3)C4=NN=CC=C4

InChI

InChI=1S/C27H27N5O4/c1-27(2,3)22(33)16-32-21-14-8-7-12-19(21)23(20-13-9-15-28-31-20)29-24(25(32)34)30-26(35)36-17-18-10-5-4-6-11-18/h4-15,24H,16-17H2,1-3H3,(H,30,35)