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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-butyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-2-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-butyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-2-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-butyl-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperazinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-butyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-2-carboxamide Traditional Name: 4-butyl-N-homopiperonyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-2-carboxamide Formula: C25H31N7O3 MolecularWeight: 477.55874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N7O3/c1-2-3-11-30-13-14-32(23-7-9-28-25(29-23)31-12-10-26-17-31)20(16-30)24(33)27-8-6-19-4-5-21-22(15-19)35-18-34-21/h4-5,7,9-10,12,15,17,20H,2-3,6,8,11,13-14,16,18H2,1H3,(H,27,33)