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

Systemtic Name: N-(2-azanylethyl)-1-(3-cyclopentylpropanoyl)-2-(4-fluorophenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-cyclopentylpropanoyl)-2-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminoethyl)-1-(3-cyclopentyl-1-oxopropyl)-2-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-cyclopentylpropanoyl)-2-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3-cyclopentylpropanoyl)-2-(4-fluorophenyl)-4-keto-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C26H31FN4O3 MolecularWeight: 466.547743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)N2C(CC(=O)NC3=C2C=CC(=C3)C(=O)NCCN)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(C1)CCC(=O)N2C(CC(=O)NC3=C2C=CC(=C3)C(=O)NCCN)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H31FN4O3/c27-20-9-6-18(7-10-20)23-16-24(32)30-21-15-19(26(34)29-14-13-28)8-11-22(21)31(23)25(33)12-5-17-3-1-2-4-17/h6-11,15,17,23H,1-5,12-14,16,28H2,(H,29,34)(H,30,32)