4-[4-azanyl-2-(diethylcarbamoyl)phenyl]-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[4-azanyl-2-(diethylcarbamoyl)phenyl]-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[4-amino-2-(diethylcarbamoyl)phenyl]-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[4-amino-2-[diethylamino(oxo)methyl]phenyl]-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[4-amino-2-(diethylcarbamoyl)phenyl]-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[4-amino-2-(diethylcarbamoyl)phenyl]-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide Formula: C23H30FN5O2 MolecularWeight: 427.515003

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C=CC(=C1)N)N2CCCN(CC2)C(=O)NC3=CC=CC=C3F

Isomeric SMILES

CCN(CC)C(=O)C1=C(C=CC(=C1)N)N2CCCN(CC2)C(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C23H30FN5O2/c1-3-27(4-2)22(30)18-16-17(25)10-11-21(18)28-12-7-13-29(15-14-28)23(31)26-20-9-6-5-8-19(20)24/h5-6,8-11,16H,3-4,7,12-15,25H2,1-2H3,(H,26,31)