4-(1H-benzimidazol-2-yl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]butanamide

Systemtic Name: 4-(1H-benzimidazol-2-yl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]butanamide Openeye Name: 4-(1H-benzimidazol-2-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]butanamide CAS Name: 4-(1H-benzimidazol-2-yl)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]butanamide IUPAC Name: 4-(1H-benzimidazol-2-yl)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]butanamide Traditional Name: 4-(1H-benzimidazol-2-yl)-N-[6-(3-ketopiperazino)-3-pyridyl]butyramide Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)CCCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)CCCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H22N6O2/c27-19(7-3-6-17-24-15-4-1-2-5-16(15)25-17)23-14-8-9-18(22-12-14)26-11-10-21-20(28)13-26/h1-2,4-5,8-9,12H,3,6-7,10-11,13H2,(H,21,28)(H,23,27)(H,24,25)