N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(2-pyridin-3-ylpiperidin-1-yl)propanamide

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(2-pyridin-3-ylpiperidin-1-yl)propanamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-3-[2-(3-pyridyl)-1-piperidyl]propanamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-[2-(3-pyridinyl)-1-piperidinyl]propanamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(2-pyridin-3-ylpiperidin-1-yl)propanamide Traditional Name: N-[(E)-piperonylideneamino]-3-[2-(3-pyridyl)piperidino]propionamide Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CN=CC=C2)CCC(=O)NN=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C(C1)C2=CN=CC=C2)CCC(=O)N/N=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N4O3/c26-21(24-23-13-16-6-7-19-20(12-16)28-15-27-19)8-11-25-10-2-1-5-18(25)17-4-3-9-22-14-17/h3-4,6-7,9,12-14,18H,1-2,5,8,10-11,15H2,(H,24,26)/b23-13+