N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-4-yl-ethyl]pyridine-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-4-yl-ethyl]pyridine-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-(4-pyridyl)ethyl]pyridine-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2-pyridinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]pyridine-2-carboxamide Traditional Name: N-[2-(cyclohexylamino)-2-keto-1-(4-pyridyl)ethyl]-N-piperonyl-picolinamide Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CC=NC=C2)N(CC3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)NC(=O)C(C2=CC=NC=C2)N(CC3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CC=N5

InChI

InChI=1S/C27H28N4O4/c32-26(30-21-6-2-1-3-7-21)25(20-11-14-28-15-12-20)31(27(33)22-8-4-5-13-29-22)17-19-9-10-23-24(16-19)35-18-34-23/h4-5,8-16,21,25H,1-3,6-7,17-18H2,(H,30,32)