N-[3-(azepan-1-yl)propyl]-1-[(5-fluoranyl-2-methyl-phenyl)methyl]aziridine-2-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-1-[(5-fluoranyl-2-methyl-phenyl)methyl]aziridine-2-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-1-[(5-fluoro-2-methyl-phenyl)methyl]aziridine-2-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-1-[(5-fluoro-2-methylphenyl)methyl]-2-aziridinecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-1-[(5-fluoro-2-methylphenyl)methyl]aziridine-2-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-1-(5-fluoro-2-methyl-benzyl)ethylenimine-2-carboxamide Formula: C20H30FN3O MolecularWeight: 347.470103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)CN2CC2C(=O)NCCCN3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)F)CN2CC2C(=O)NCCCN3CCCCCC3

InChI

InChI=1S/C20H30FN3O/c1-16-7-8-18(21)13-17(16)14-24-15-19(24)20(25)22-9-6-12-23-10-4-2-3-5-11-23/h7-8,13,19H,2-6,9-12,14-15H2,1H3,(H,22,25)