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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-butyl-1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)piperazine-2-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-butyl-1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)piperazine-2-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-butyl-1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-2-piperazinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-butyl-1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazine-2-carboxamide Traditional Name: 4-butyl-1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-homopiperonyl-piperazine-2-carboxamide Formula: C25H30ClN7O3 MolecularWeight: 512.0038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(C(C1)C(=O)NCCC2=CC3=C(C=C2)OCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

CCCCN1CCN(C(C1)C(=O)NCCC2=CC3=C(C=C2)OCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C25H30ClN7O3/c1-2-3-9-31-11-12-33(23-14-22(26)29-25(30-23)32-10-8-27-16-32)19(15-31)24(34)28-7-6-18-4-5-20-21(13-18)36-17-35-20/h4-5,8,10,13-14,16,19H,2-3,6-7,9,11-12,15,17H2,1H3,(H,28,34)