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

Systemtic Name: methyl 3-[[1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoate Openeye Name: methyl 3-[[1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoate CAS Name: 3-[[[[1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(2-pyridinyl)-3H-1,4-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoate Traditional Name: 3-[[2-keto-1-(2-keto-3,3-dimethyl-butyl)-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoic acid methyl ester Formula: C29H29N5O5 MolecularWeight: 527.57106

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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)C(=O)OC)C4=CC=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C29H29N5O5/c1-29(2,3)23(35)17-34-22-14-6-5-12-20(22)24(21-13-7-8-15-30-21)32-25(26(34)36)33-28(38)31-19-11-9-10-18(16-19)27(37)39-4/h5-16,25H,17H2,1-4H3,(H2,31,33,38)