tert-butyl 5-(aminocarbonylamino)-2-methyl-3-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)benzoate

Systemtic Name: tert-butyl 5-(aminocarbonylamino)-2-methyl-3-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)benzoate Openeye Name: tert-butyl 2-methyl-3-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)-5-ureido-benzoate CAS Name: 5-(carbamoylamino)-2-methyl-3-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-(carbamoylamino)-2-methyl-3-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)benzoate Traditional Name: 2-methyl-3-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)-5-ureido-benzoic acid tert-butyl ester Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)OC(C)(C)C)NC(=O)N)C2CNC3=CC=CC=C3NC2

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)OC(C)(C)C)NC(=O)N)C2CNC3=CC=CC=C3NC2

InChI

InChI=1S/C22H28N4O3/c1-13-16(14-11-24-18-7-5-6-8-19(18)25-12-14)9-15(26-21(23)28)10-17(13)20(27)29-22(2,3)4/h5-10,14,24-25H,11-12H2,1-4H3,(H3,23,26,28)