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

Systemtic Name: N-(2-azanylethyl)-2-(4-fluorophenyl)-4-oxidanylidene-1-(3-phenylpropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminoethyl)-2-(4-fluorophenyl)-4-oxo-1-(3-phenylpropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminoethyl)-2-(4-fluorophenyl)-4-oxo-1-(1-oxo-3-phenylpropyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminoethyl)-2-(4-fluorophenyl)-4-oxo-1-(3-phenylpropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminoethyl)-2-(4-fluorophenyl)-1-hydrocinnamoyl-4-keto-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C27H27FN4O3 MolecularWeight: 474.526683

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=C(C=C(C=C2)C(=O)NCCN)NC1=O)C(=O)CCC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1C(N(C2=C(C=C(C=C2)C(=O)NCCN)NC1=O)C(=O)CCC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H27FN4O3/c28-21-10-7-19(8-11-21)24-17-25(33)31-22-16-20(27(35)30-15-14-29)9-12-23(22)32(24)26(34)13-6-18-4-2-1-3-5-18/h1-5,7-12,16,24H,6,13-15,17,29H2,(H,30,35)(H,31,33)