N-[(4-fluorophenyl)methyl]-4-(3-methylbut-2-enoyl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-(3-methylbut-2-enoyl)-1,4-diazepane-1-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-(3-methylbut-2-enoyl)-1,4-diazepane-1-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-4-(3-methyl-1-oxobut-2-enyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-(3-methylbut-2-enoyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(4-fluorobenzyl)-4-(3-methylbut-2-enoyl)-1,4-diazepane-1-carboxamide Formula: C18H24FN3O2 MolecularWeight: 333.400463

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCCN(CC1)C(=O)NCC2=CC=C(C=C2)F)C

Isomeric SMILES

CC(=CC(=O)N1CCCN(CC1)C(=O)NCC2=CC=C(C=C2)F)C

InChI

InChI=1S/C18H24FN3O2/c1-14(2)12-17(23)21-8-3-9-22(11-10-21)18(24)20-13-15-4-6-16(19)7-5-15/h4-7,12H,3,8-11,13H2,1-2H3,(H,20,24)