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

Systemtic Name: N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-(4-nicotinoylpiperazino)phenyl]-piperonylamide Formula: C31H34N6O5 MolecularWeight: 570.63886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CN=CC=C4)NC(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CC(CCC1N)NC(=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/C31H34N6O5/c32-23-5-7-24(8-6-23)34-29(38)20-3-9-26(36-12-14-37(15-13-36)31(40)22-2-1-11-33-18-22)25(16-20)35-30(39)21-4-10-27-28(17-21)42-19-41-27/h1-4,9-11,16-18,23-24H,5-8,12-15,19,32H2,(H,34,38)(H,35,39)