N-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-7-(4-fluoranyl-2-methyl-phenyl)-N-methyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-7-(4-fluoranyl-2-methyl-phenyl)-N-methyl-1,4-diazepane-1-carboxamide Openeye Name: N-[(3-chloro-4-fluoro-phenyl)methyl]-7-(4-fluoro-2-methyl-phenyl)-N-methyl-1,4-diazepane-1-carboxamide CAS Name: N-[(3-chloro-4-fluorophenyl)methyl]-7-(4-fluoro-2-methylphenyl)-N-methyl-1,4-diazepane-1-carboxamide IUPAC Name: N-[(3-chloro-4-fluorophenyl)methyl]-7-(4-fluoro-2-methylphenyl)-N-methyl-1,4-diazepane-1-carboxamide Traditional Name: N-(3-chloro-4-fluoro-benzyl)-7-(4-fluoro-2-methyl-phenyl)-N-methyl-1,4-diazepane-1-carboxamide Formula: C21H24ClF2N3O MolecularWeight: 407.884566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2CCNCCN2C(=O)N(C)CC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)F)C2CCNCCN2C(=O)N(C)CC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H24ClF2N3O/c1-14-11-16(23)4-5-17(14)20-7-8-25-9-10-27(20)21(28)26(2)13-15-3-6-19(24)18(22)12-15/h3-6,11-12,20,25H,7-10,13H2,1-2H3