N-[[4-(1,3-benzodioxol-5-ylcarbamoyl)cyclohexyl]methyl]-6-oxidanylidene-1H-pyridine-3-carboxamide

Systemtic Name: N-[[4-(1,3-benzodioxol-5-ylcarbamoyl)cyclohexyl]methyl]-6-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-[[4-(1,3-benzodioxol-5-ylcarbamoyl)cyclohexyl]methyl]-6-oxo-1H-pyridine-3-carboxamide CAS Name: N-[[4-[(1,3-benzodioxol-5-ylamino)-oxomethyl]cyclohexyl]methyl]-6-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-[[4-(1,3-benzodioxol-5-ylcarbamoyl)cyclohexyl]methyl]-6-oxo-1H-pyridine-3-carboxamide Traditional Name: N-[[4-(1,3-benzodioxol-5-ylcarbamoyl)cyclohexyl]methyl]-6-keto-1H-pyridine-3-carboxamide Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)C2=CNC(=O)C=C2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC(CCC1CNC(=O)C2=CNC(=O)C=C2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O5/c25-19-8-5-15(11-22-19)20(26)23-10-13-1-3-14(4-2-13)21(27)24-16-6-7-17-18(9-16)29-12-28-17/h5-9,11,13-14H,1-4,10,12H2,(H,22,25)(H,23,26)(H,24,27)