N-(1,3-benzodioxol-5-ylmethyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(3-phenyl-1-piperazinyl)-3-pyridinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide Traditional Name: 6-(3-phenylpiperazino)-N-piperonyl-nicotinamide Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)C2=CC=CC=C2)C3=NC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC(N1)C2=CC=CC=C2)C3=NC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H24N4O3/c29-24(27-13-17-6-8-21-22(12-17)31-16-30-21)19-7-9-23(26-14-19)28-11-10-25-20(15-28)18-4-2-1-3-5-18/h1-9,12,14,20,25H,10-11,13,15-16H2,(H,27,29)