4-chloranyl-N-[3-methyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]benzamide

Systemtic Name: 4-chloranyl-N-[3-methyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]benzamide Openeye Name: 4-chloro-N-[2-methyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)butyl]benzamide CAS Name: 4-chloro-N-[3-methyl-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]pentan-2-yl]benzamide IUPAC Name: 4-chloro-N-[3-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]benzamide Traditional Name: 4-chloro-N-[2-methyl-1-[4-(2-pyrimidyl)piperazine-1-carbonyl]butyl]benzamide Formula: C21H26ClN5O2 MolecularWeight: 415.91644

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(CC1)C2=NC=CC=N2)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C)C(C(=O)N1CCN(CC1)C2=NC=CC=N2)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN5O2/c1-3-15(2)18(25-19(28)16-5-7-17(22)8-6-16)20(29)26-11-13-27(14-12-26)21-23-9-4-10-24-21/h4-10,15,18H,3,11-14H2,1-2H3,(H,25,28)