3-(propan-2-ylcarbamoylamino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide

Systemtic Name: 3-(propan-2-ylcarbamoylamino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide Openeye Name: 3-(isopropylcarbamoylamino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide CAS Name: 3-[[oxo-(propan-2-ylamino)methyl]amino]-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]benzamide IUPAC Name: 3-(propan-2-ylcarbamoylamino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide Traditional Name: 3-(isopropylcarbamoylamino)-N-[3-[4-(2-pyrimidyl)piperazino]propyl]benzamide Formula: C22H31N7O2 MolecularWeight: 425.52724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=CC(=C1)C(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)NC(=O)NC1=CC=CC(=C1)C(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C22H31N7O2/c1-17(2)26-22(31)27-19-7-3-6-18(16-19)20(30)23-10-5-11-28-12-14-29(15-13-28)21-24-8-4-9-25-21/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,23,30)(H2,26,27,31)