[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl] 4-[(aminocarbonylamino)methyl]benzoate

Systemtic Name: [2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl] 4-[(aminocarbonylamino)methyl]benzoate Openeye Name: [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxo-ethyl] 4-(ureidomethyl)benzoate CAS Name: 4-[(carbamoylamino)methyl]benzoic acid [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate Traditional Name: 4-(ureidomethyl)benzoic acid [2-keto-2-(2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)ethyl] ester Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=C(C=C3)CNC(=O)N

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=C(C=C3)CNC(=O)N

InChI

InChI=1S/C21H22N4O5/c1-13-10-18(26)24-16-4-2-3-5-17(16)25(13)19(27)12-30-20(28)15-8-6-14(7-9-15)11-23-21(22)29/h2-9,13H,10-12H2,1H3,(H,24,26)(H3,22,23,29)