3-methyl-N-[3-methyl-1-oxidanylidene-1-[[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]amino]butan-2-yl]benzamide

Systemtic Name: 3-methyl-N-[3-methyl-1-oxidanylidene-1-[[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]amino]butan-2-yl]benzamide Openeye Name: 3-methyl-N-[2-methyl-1-[[6-(3-oxopiperazin-1-yl)-3-pyridyl]carbamoyl]propyl]benzamide CAS Name: 3-methyl-N-[3-methyl-1-oxo-1-[[6-(3-oxo-1-piperazinyl)-3-pyridinyl]amino]butan-2-yl]benzamide IUPAC Name: 3-methyl-N-[3-methyl-1-oxo-1-[[6-(3-oxopiperazin-1-yl)pyridin-3-yl]amino]butan-2-yl]benzamide Traditional Name: N-[1-[[6-(3-ketopiperazino)-3-pyridyl]carbamoyl]-2-methyl-propyl]-3-methyl-benzamide Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C22H27N5O3/c1-14(2)20(26-21(29)16-6-4-5-15(3)11-16)22(30)25-17-7-8-18(24-12-17)27-10-9-23-19(28)13-27/h4-8,11-12,14,20H,9-10,13H2,1-3H3,(H,23,28)(H,25,30)(H,26,29)