ethyl 2-ethyl-4-(9H-xanthen-9-ylcarbonylamino)-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-ethyl-4-(9H-xanthen-9-ylcarbonylamino)-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-(9H-xanthene-9-carbonylamino)-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[[oxo(9H-xanthen-9-yl)methyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-(9H-xanthene-9-carbonylamino)-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-(9H-xanthene-9-carbonylamino)-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C28H25N3O4 MolecularWeight: 467.5158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C(=O)OCC

InChI

InChI=1S/C28H25N3O4/c1-3-19-25(28(33)34-4-2)26(30-21-14-8-7-13-20(21)29-19)31-27(32)24-17-11-5-9-15-22(17)35-23-16-10-6-12-18(23)24/h5-16,24,29H,3-4H2,1-2H3,(H,30,31,32)