(E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepane-1-carbonyl)-1-piperidyl]-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one CAS Name: (E)-1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-(1,3-benzodioxol-5-yl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepane-1-carbonyl)piperidino]-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one Formula: C22H28N2O4 MolecularWeight: 384.46872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H28N2O4/c25-21(8-6-17-5-7-19-20(15-17)28-16-27-19)23-13-9-18(10-14-23)22(26)24-11-3-1-2-4-12-24/h5-8,15,18H,1-4,9-14,16H2/b8-6+