5-(1,3-benzodioxol-5-yl)-2-oxidanylidene-N-[4-[(1-pyrimidin-2-ylpyrrol-2-yl)methylamino]cyclohexyl]-1H-pyridine-3-carboxamide

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-2-oxidanylidene-N-[4-[(1-pyrimidin-2-ylpyrrol-2-yl)methylamino]cyclohexyl]-1H-pyridine-3-carboxamide Openeye Name: 5-(1,3-benzodioxol-5-yl)-2-oxo-N-[4-[(1-pyrimidin-2-ylpyrrol-2-yl)methylamino]cyclohexyl]-1H-pyridine-3-carboxamide CAS Name: 5-(1,3-benzodioxol-5-yl)-2-oxo-N-[4-[[1-(2-pyrimidinyl)-2-pyrrolyl]methylamino]cyclohexyl]-1H-pyridine-3-carboxamide IUPAC Name: 5-(1,3-benzodioxol-5-yl)-2-oxo-N-[4-[(1-pyrimidin-2-ylpyrrol-2-yl)methylamino]cyclohexyl]-1H-pyridine-3-carboxamide Traditional Name: 5-(1,3-benzodioxol-5-yl)-2-keto-N-[4-[[1-(2-pyrimidyl)pyrrol-2-yl]methylamino]cyclohexyl]-1H-pyridine-3-carboxamide Formula: C28H28N6O4 MolecularWeight: 512.55972

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NCC2=CC=CN2C3=NC=CC=N3)NC(=O)C4=CC(=CNC4=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CC(CCC1NCC2=CC=CN2C3=NC=CC=N3)NC(=O)C4=CC(=CNC4=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H28N6O4/c35-26-23(13-19(15-32-26)18-4-9-24-25(14-18)38-17-37-24)27(36)33-21-7-5-20(6-8-21)31-16-22-3-1-12-34(22)28-29-10-2-11-30-28/h1-4,9-15,20-21,31H,5-8,16-17H2,(H,32,35)(H,33,36)