N-[4-(azepan-1-yl)phenyl]-2-(1,3-benzodioxol-5-ylmethylamino)ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(1,3-benzodioxol-5-ylmethylamino)ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(1,3-benzodioxol-5-ylmethylamino)acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-(1,3-benzodioxol-5-ylmethylamino)acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(1,3-benzodioxol-5-ylmethylamino)acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(piperonylamino)acetamide Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CNCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CNCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O3/c26-22(15-23-14-17-5-10-20-21(13-17)28-16-27-20)24-18-6-8-19(9-7-18)25-11-3-1-2-4-12-25/h5-10,13,23H,1-4,11-12,14-16H2,(H,24,26)