N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

Systemtic Name: N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Openeye Name: 4-[(isopropylcarbamoylamino)methyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]benzamide CAS Name: N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzamide IUPAC Name: N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Traditional Name: 4-[(isopropylcarbamoylamino)methyl]-N-[6-(3-ketopiperazino)-3-pyridyl]benzamide Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

InChI

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