N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-(4-nicotinoylpiperazino)phenyl]-piperonylamide Formula: C30H32N6O5 MolecularWeight: 556.61228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CN=CC=C4)NC(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CN=CC=C4)NC(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C30H32N6O5/c37-28(21-5-7-26-27(18-21)41-20-40-26)33-24-17-22(29(38)35-11-2-9-31-10-12-35)4-6-25(24)34-13-15-36(16-14-34)30(39)23-3-1-8-32-19-23/h1,3-8,17-19,31H,2,9-16,20H2,(H,33,37)