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

Systemtic Name: N-(2-azanylethyl)-1-cyclopropylcarbonyl-2-(4-fluorophenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminoethyl)-1-[cyclopropyl(oxo)methyl]-2-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-keto-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C22H23FN4O3 MolecularWeight: 410.441423

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2C(CC(=O)NC3=C2C=CC(=C3)C(=O)NCCN)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC1C(=O)N2C(CC(=O)NC3=C2C=CC(=C3)C(=O)NCCN)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4O3/c23-16-6-3-13(4-7-16)19-12-20(28)26-17-11-15(21(29)25-10-9-24)5-8-18(17)27(19)22(30)14-1-2-14/h3-8,11,14,19H,1-2,9-10,12,24H2,(H,25,29)(H,26,28)