N-[3-[[1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]-N-methyl-methanamide

Systemtic Name: N-[3-[[1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]-N-methyl-methanamide Openeye Name: N-[3-[[1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]-N-methyl-formamide CAS Name: N-[3-[[[[1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(2-pyridinyl)-3H-1,4-benzodiazepin-3-yl]amino]-oxomethyl]amino]phenyl]-N-methylformamide IUPAC Name: N-[3-[[1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]-N-methylformamide Traditional Name: N-[3-[[2-keto-1-(2-keto-3,3-dimethyl-butyl)-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]-N-methyl-formamide Formula: C29H30N6O4 MolecularWeight: 526.5863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC(=CC=C3)N(C)C=O)C4=CC=CC=N4

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC(=CC=C3)N(C)C=O)C4=CC=CC=N4

InChI

InChI=1S/C29H30N6O4/c1-29(2,3)24(37)17-35-23-14-6-5-12-21(23)25(22-13-7-8-15-30-22)32-26(27(35)38)33-28(39)31-19-10-9-11-20(16-19)34(4)18-36/h5-16,18,26H,17H2,1-4H3,(H2,31,33,39)