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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-2-oxidanylidene-N-[4-[(1-phenylpyrazol-4-yl)methylamino]cyclohexyl]-1H-pyridine-3-carboxamide Openeye Name: 5-(1,3-benzodioxol-5-yl)-2-oxo-N-[4-[(1-phenylpyrazol-4-yl)methylamino]cyclohexyl]-1H-pyridine-3-carboxamide CAS Name: 5-(1,3-benzodioxol-5-yl)-2-oxo-N-[4-[(1-phenyl-4-pyrazolyl)methylamino]cyclohexyl]-1H-pyridine-3-carboxamide IUPAC Name: 5-(1,3-benzodioxol-5-yl)-2-oxo-N-[4-[(1-phenylpyrazol-4-yl)methylamino]cyclohexyl]-1H-pyridine-3-carboxamide Traditional Name: 5-(1,3-benzodioxol-5-yl)-2-keto-N-[4-[(1-phenylpyrazol-4-yl)methylamino]cyclohexyl]-1H-pyridine-3-carboxamide Formula: C29H29N5O4 MolecularWeight: 511.57166

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NCC2=CN(N=C2)C3=CC=CC=C3)NC(=O)C4=CC(=CNC4=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CC(CCC1NCC2=CN(N=C2)C3=CC=CC=C3)NC(=O)C4=CC(=CNC4=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H29N5O4/c35-28-25(12-21(16-31-28)20-6-11-26-27(13-20)38-18-37-26)29(36)33-23-9-7-22(8-10-23)30-14-19-15-32-34(17-19)24-4-2-1-3-5-24/h1-6,11-13,15-17,22-23,30H,7-10,14,18H2,(H,31,35)(H,33,36)