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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-1-(1,3-benzodioxol-5-ylmethyl)aziridine-2-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-1-(1,3-benzodioxol-5-ylmethyl)aziridine-2-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-1-(1,3-benzodioxol-5-ylmethyl)-2-aziridinecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-1-(1,3-benzodioxol-5-ylmethyl)aziridine-2-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-1-piperonyl-ethylenimine-2-carboxamide Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=O)C2CN2CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)CCCNC(=O)C2CN2CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H29N3O3/c24-20(21-8-5-11-22-9-3-1-2-4-10-22)17-14-23(17)13-16-6-7-18-19(12-16)26-15-25-18/h6-7,12,17H,1-5,8-11,13-15H2,(H,21,24)