1-[3-(1H-benzimidazol-2-yl)-4-pyridin-3-ylcarbonyl-piperazin-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[3-(1H-benzimidazol-2-yl)-4-pyridin-3-ylcarbonyl-piperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[3-(1H-benzimidazol-2-yl)-4-(pyridine-3-carbonyl)piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[3-(1H-benzimidazol-2-yl)-4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[3-(1H-benzimidazol-2-yl)-4-(pyridine-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[3-(1H-benzimidazol-2-yl)-4-nicotinoyl-piperazino]-3-methyl-butan-1-one Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(C(C1)C2=NC3=CC=CC=C3N2)C(=O)C4=CN=CC=C4

Isomeric SMILES

CC(C)CC(=O)N1CCN(C(C1)C2=NC3=CC=CC=C3N2)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H25N5O2/c1-15(2)12-20(28)26-10-11-27(22(29)16-6-5-9-23-13-16)19(14-26)21-24-17-7-3-4-8-18(17)25-21/h3-9,13,15,19H,10-12,14H2,1-2H3,(H,24,25)