N-(1,3-benzodioxol-5-yl)-1-[(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)methyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)methyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(5-cyano-3,4-dimethyl-6-oxo-pyridazin-1-yl)methyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(5-cyano-3,4-dimethyl-6-oxo-1-pyridazinyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(5-cyano-6-keto-3,4-dimethyl-pyridazin-1-yl)methyl]isonipecotamide Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)CN2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)CN2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C21H23N5O4/c1-13-14(2)24-26(21(28)17(13)10-22)11-25-7-5-15(6-8-25)20(27)23-16-3-4-18-19(9-16)30-12-29-18/h3-4,9,15H,5-8,11-12H2,1-2H3,(H,23,27)