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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)CCC3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC(=O)CCC3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C19H18ClN5O3/c1-12(13-2-4-15-16(8-13)28-11-27-15)22-18(26)5-3-14-9-17(20)24-19(23-14)25-7-6-21-10-25/h2,4,6-10,12H,3,5,11H2,1H3,(H,22,26)