N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)propanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)propanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)propanamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]propanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)propanamide Traditional Name: 3-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-homopiperonyl-propionamide Formula: C19H18ClN5O3 MolecularWeight: 399.83092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC(=O)CCC3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC(=O)CCC3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C19H18ClN5O3/c20-17-10-14(23-19(24-17)25-8-7-21-11-25)2-4-18(26)22-6-5-13-1-3-15-16(9-13)28-12-27-15/h1,3,7-11H,2,4-6,12H2,(H,22,26)