3-methyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-2-(phenylcarbamoylamino)butanamide

Systemtic Name: 3-methyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-2-(phenylcarbamoylamino)butanamide Openeye Name: 3-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-2-(phenylcarbamoylamino)butanamide CAS Name: 2-[[anilino(oxo)methyl]amino]-3-methyl-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]butanamide IUPAC Name: 3-methyl-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-2-(phenylcarbamoylamino)butanamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-3-methyl-2-(phenylcarbamoylamino)butyramide Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CN=C(C=C1)N2CCNC(=O)C2)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)NC1=CN=C(C=C1)N2CCNC(=O)C2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H26N6O3/c1-14(2)19(26-21(30)25-15-6-4-3-5-7-15)20(29)24-16-8-9-17(23-12-16)27-11-10-22-18(28)13-27/h3-9,12,14,19H,10-11,13H2,1-2H3,(H,22,28)(H,24,29)(H2,25,26,30)