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

Systemtic Name: [2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl] 4-(cyclopropylcarbonylamino)benzoate Openeye Name: [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxo-ethyl] 4-(cyclopropanecarbonylamino)benzoate CAS Name: 4-[[cyclopropyl(oxo)methyl]amino]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-(cyclopropanecarbonylamino)benzoate Traditional Name: 4-(cyclopropanecarbonylamino)benzoic acid [2-keto-2-(2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)ethyl] ester Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=C(C=C3)NC(=O)C4CC4

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=C(C=C3)NC(=O)C4CC4

InChI

InChI=1S/C23H23N3O5/c1-14-12-20(27)25-18-4-2-3-5-19(18)26(14)21(28)13-31-23(30)16-8-10-17(11-9-16)24-22(29)15-6-7-15/h2-5,8-11,14-15H,6-7,12-13H2,1H3,(H,24,29)(H,25,27)