3-(2,2-dimethylpropanoylamino)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]benzamide

Systemtic Name: 3-(2,2-dimethylpropanoylamino)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]benzamide Openeye Name: 3-(2,2-dimethylpropanoylamino)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]benzamide CAS Name: 3-[(2,2-dimethyl-1-oxopropyl)amino]-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]benzamide IUPAC Name: 3-(2,2-dimethylpropanoylamino)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]benzamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-3-(pivaloylamino)benzamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C21H25N5O3/c1-21(2,3)20(29)25-15-6-4-5-14(11-15)19(28)24-16-7-8-17(23-12-16)26-10-9-22-18(27)13-26/h4-8,11-12H,9-10,13H2,1-3H3,(H,22,27)(H,24,28)(H,25,29)