4-(3-cyano-5,7-dimethyl-quinolin-2-yl)-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(3-cyano-5,7-dimethyl-quinolin-2-yl)-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-cyano-5,7-dimethyl-2-quinolyl)-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(3-cyano-5,7-dimethyl-2-quinolinyl)-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-cyano-5,7-dimethylquinolin-2-yl)-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-cyano-5,7-dimethyl-2-quinolyl)-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide Formula: C24H24FN5O MolecularWeight: 417.478663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=NC2=C1)N3CCCN(CC3)C(=O)NC4=CC=CC=C4F)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)N3CCCN(CC3)C(=O)NC4=CC=CC=C4F)C#N)C

InChI

InChI=1S/C24H24FN5O/c1-16-12-17(2)19-14-18(15-26)23(27-22(19)13-16)29-8-5-9-30(11-10-29)24(31)28-21-7-4-3-6-20(21)25/h3-4,6-7,12-14H,5,8-11H2,1-2H3,(H,28,31)