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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-1-[(3,5-dimethoxyphenyl)methyl]aziridine-2-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-1-[(3,5-dimethoxyphenyl)methyl]aziridine-2-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-1-[(3,5-dimethoxyphenyl)methyl]-2-aziridinecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-1-[(3,5-dimethoxyphenyl)methyl]aziridine-2-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-1-(3,5-dimethoxybenzyl)ethylenimine-2-carboxamide Formula: C21H33N3O3 MolecularWeight: 375.50502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CC2C(=O)NCCCN3CCCCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CC2C(=O)NCCCN3CCCCCC3)OC

InChI

InChI=1S/C21H33N3O3/c1-26-18-12-17(13-19(14-18)27-2)15-24-16-20(24)21(25)22-8-7-11-23-9-5-3-4-6-10-23/h12-14,20H,3-11,15-16H2,1-2H3,(H,22,25)