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

Systemtic Name: methyl 3-[[1-[2-(dimethylamino)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoate Openeye Name: methyl 3-[[1-[2-(dimethylamino)-2-oxo-ethyl]-2-oxo-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoate CAS Name: 3-[[[[1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-5-(2-pyridinyl)-3H-1,4-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoate Traditional Name: 3-[[1-[2-(dimethylamino)-2-keto-ethyl]-2-keto-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoic acid methyl ester Formula: C27H26N6O5 MolecularWeight: 514.53254

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Descriptors Computed from Structure

Canonical SMILES:

CN(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

CN(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/C27H26N6O5/c1-32(2)22(34)16-33-21-13-5-4-11-19(21)23(20-12-6-7-14-28-20)30-24(25(33)35)31-27(37)29-18-10-8-9-17(15-18)26(36)38-3/h4-15,24H,16H2,1-3H3,(H2,29,31,37)