N-[6-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[6-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[6-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-3-pyridyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[6-[4-(3-methyl-1-oxobutyl)-1,4-diazepan-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[6-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[6-(4-isovaleryl-1,4-diazepan-1-yl)-3-pyridyl]-piperonylamide Formula: C23H28N4O4 MolecularWeight: 424.49282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CC(=O)N1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H28N4O4/c1-16(2)12-22(28)27-9-3-8-26(10-11-27)21-7-5-18(14-24-21)25-23(29)17-4-6-19-20(13-17)31-15-30-19/h4-7,13-14,16H,3,8-12,15H2,1-2H3,(H,25,29)