tert-butyl 5-[(5-cyclohexyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamoylamino]-2-methyl-benzoate

Systemtic Name: tert-butyl 5-[(5-cyclohexyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamoylamino]-2-methyl-benzoate Openeye Name: tert-butyl 5-[(5-cyclohexyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamoylamino]-2-methyl-benzoate CAS Name: 5-[[[(5-cyclohexyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)amino]-oxomethyl]amino]-2-methylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(5-cyclohexyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamoylamino]-2-methylbenzoate Traditional Name: 5-[(5-cyclohexyl-2-keto-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamoylamino]-2-methyl-benzoic acid tert-butyl ester Formula: C28H36N4O4 MolecularWeight: 492.60984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2CN(C3=CC=CC=C3NC2=O)C4CCCCC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2CN(C3=CC=CC=C3NC2=O)C4CCCCC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H36N4O4/c1-18-14-15-19(16-21(18)26(34)36-28(2,3)4)29-27(35)31-23-17-32(20-10-6-5-7-11-20)24-13-9-8-12-22(24)30-25(23)33/h8-9,12-16,20,23H,5-7,10-11,17H2,1-4H3,(H,30,33)(H2,29,31,35)