N-[3-[4-(azepan-1-yl)phenyl]propyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[4-(1-azepanyl)phenyl]propyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-piperonylamide Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)CCCNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)CCCNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H28N2O3/c26-23(19-9-12-21-22(16-19)28-17-27-21)24-13-5-6-18-7-10-20(11-8-18)25-14-3-1-2-4-15-25/h7-12,16H,1-6,13-15,17H2,(H,24,26)