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

Systemtic Name: methyl 3-[[1-(2-cyclopentyl-2-oxidanylidene-ethyl)-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoate Openeye Name: methyl 3-[[1-(2-cyclopentyl-2-oxo-ethyl)-2-oxo-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoate CAS Name: 3-[[[[1-(2-cyclopentyl-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-cyclopentyl-2-oxoethyl)-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoate Traditional Name: 3-[[1-(2-cyclopentyl-2-keto-ethyl)-2-keto-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoic acid methyl ester Formula: C30H29N5O5 MolecularWeight: 539.58176

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=N4)CC(=O)C5CCCC5

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=N4)CC(=O)C5CCCC5

InChI

InChI=1S/C30H29N5O5/c1-40-29(38)20-11-8-12-21(17-20)32-30(39)34-27-28(37)35(18-25(36)19-9-2-3-10-19)24-15-5-4-13-22(24)26(33-27)23-14-6-7-16-31-23/h4-8,11-17,19,27H,2-3,9-10,18H2,1H3,(H2,32,34,39)