N-[3-[[(4-azanylcyclohexyl)-(1,3-benzodioxol-5-ylcarbonyl)amino]methyl]phenyl]pyridine-3-carboxamide

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-(1,3-benzodioxol-5-ylcarbonyl)amino]methyl]phenyl]pyridine-3-carboxamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-(1,3-benzodioxole-5-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide CAS Name: N-[3-[[(4-aminocyclohexyl)-[1,3-benzodioxol-5-yl(oxo)methyl]amino]methyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-(1,3-benzodioxole-5-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide Traditional Name: N-[3-[[(4-aminocyclohexyl)-piperonyloyl-amino]methyl]phenyl]nicotinamide Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=CC(=CC=C2)NC(=O)C3=CN=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CCC1N)N(CC2=CC(=CC=C2)NC(=O)C3=CN=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H28N4O4/c28-21-7-9-23(10-8-21)31(27(33)19-6-11-24-25(14-19)35-17-34-24)16-18-3-1-5-22(13-18)30-26(32)20-4-2-12-29-15-20/h1-6,11-15,21,23H,7-10,16-17,28H2,(H,30,32)