N-[2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]-2-keto-ethyl]-piperonylamide Formula: C23H24N4O4 MolecularWeight: 420.46106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CNC(=O)C2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)CNC(=O)C2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H24N4O4/c24-13-17-2-4-18(5-3-17)15-26-8-1-9-27(11-10-26)22(28)14-25-23(29)19-6-7-20-21(12-19)31-16-30-20/h2-7,12H,1,8-11,14-16H2,(H,25,29)