N-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[2-[[6-(1-imidazolyl)-4-pyrimidinyl]amino]phenyl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]propanamide Traditional Name: 3-[2-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-N-piperonyl-propionamide Formula: C24H22N6O3 MolecularWeight: 442.46988

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCC3=CC=CC=C3NC4=NC=NC(=C4)N5C=CN=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCC3=CC=CC=C3NC4=NC=NC(=C4)N5C=CN=C5

InChI

InChI=1S/C24H22N6O3/c31-24(26-13-17-5-7-20-21(11-17)33-16-32-20)8-6-18-3-1-2-4-19(18)29-22-12-23(28-14-27-22)30-10-9-25-15-30/h1-5,7,9-12,14-15H,6,8,13,16H2,(H,26,31)(H,27,28,29)