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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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