N-(3-chloranyl-4-fluoranyl-phenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide Formula: C19H23ClFN5O MolecularWeight: 391.870223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCCN(CC2)C(=O)NC3=CC(=C(C=C3)F)Cl)C)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCN(CC2)C(=O)NC3=CC(=C(C=C3)F)Cl)C)C

InChI

InChI=1S/C19H23ClFN5O/c1-12-13(2)22-14(3)23-18(12)25-7-4-8-26(10-9-25)19(27)24-15-5-6-17(21)16(20)11-15/h5-6,11H,4,7-10H2,1-3H3,(H,24,27)