4-chloranyl-N-[4-methyl-1-oxidanylidene-1-[[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]amino]pentan-2-yl]benzamide

Systemtic Name: 4-chloranyl-N-[4-methyl-1-oxidanylidene-1-[[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]amino]pentan-2-yl]benzamide Openeye Name: 4-chloro-N-[3-methyl-1-[[6-(3-oxopiperazin-1-yl)-3-pyridyl]carbamoyl]butyl]benzamide CAS Name: 4-chloro-N-[4-methyl-1-oxo-1-[[6-(3-oxo-1-piperazinyl)-3-pyridinyl]amino]pentan-2-yl]benzamide IUPAC Name: 4-chloro-N-[4-methyl-1-oxo-1-[[6-(3-oxopiperazin-1-yl)pyridin-3-yl]amino]pentan-2-yl]benzamide Traditional Name: 4-chloro-N-[1-[[6-(3-ketopiperazino)-3-pyridyl]carbamoyl]-3-methyl-butyl]benzamide Formula: C22H26ClN5O3 MolecularWeight: 443.92654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN5O3/c1-14(2)11-18(27-21(30)15-3-5-16(23)6-4-15)22(31)26-17-7-8-19(25-12-17)28-10-9-24-20(29)13-28/h3-8,12,14,18H,9-11,13H2,1-2H3,(H,24,29)(H,26,31)(H,27,30)