N-[3-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-3-oxidanylidene-propyl]-4-tert-butyl-benzamide

Systemtic Name: N-[3-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-3-oxidanylidene-propyl]-4-tert-butyl-benzamide Openeye Name: N-[3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-3-oxo-propyl]-4-tert-butyl-benzamide CAS Name: N-[3-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-3-oxopropyl]-4-tert-butylbenzamide IUPAC Name: N-[3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]-4-tert-butylbenzamide Traditional Name: N-[3-[4-(5-bromopyrimidin-2-yl)piperazino]-3-keto-propyl]-4-tert-butyl-benzamide Formula: C22H28BrN5O2 MolecularWeight: 474.39402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N2CCN(CC2)C3=NC=C(C=N3)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N2CCN(CC2)C3=NC=C(C=N3)Br

InChI

InChI=1S/C22H28BrN5O2/c1-22(2,3)17-6-4-16(5-7-17)20(30)24-9-8-19(29)27-10-12-28(13-11-27)21-25-14-18(23)15-26-21/h4-7,14-15H,8-13H2,1-3H3,(H,24,30)