N-(2-azanylethyl)-2-(4-fluorophenyl)-4-oxidanylidene-1-(2-phenoxypropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-(2-azanylethyl)-2-(4-fluorophenyl)-4-oxidanylidene-1-(2-phenoxypropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminoethyl)-2-(4-fluorophenyl)-4-oxo-1-(2-phenoxypropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminoethyl)-2-(4-fluorophenyl)-4-oxo-1-(1-oxo-2-phenoxypropyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminoethyl)-2-(4-fluorophenyl)-4-oxo-1-(2-phenoxypropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminoethyl)-2-(4-fluorophenyl)-4-keto-1-(2-phenoxypropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C27H27FN4O4 MolecularWeight: 490.526083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C(CC(=O)NC2=C1C=CC(=C2)C(=O)NCCN)C3=CC=C(C=C3)F)OC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1C(CC(=O)NC2=C1C=CC(=C2)C(=O)NCCN)C3=CC=C(C=C3)F)OC4=CC=CC=C4

InChI

InChI=1S/C27H27FN4O4/c1-17(36-21-5-3-2-4-6-21)27(35)32-23-12-9-19(26(34)30-14-13-29)15-22(23)31-25(33)16-24(32)18-7-10-20(28)11-8-18/h2-12,15,17,24H,13-14,16,29H2,1H3,(H,30,34)(H,31,33)