4-[(2-methylcyclopropyl)carbonylamino]-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]benzamide

Systemtic Name: 4-[(2-methylcyclopropyl)carbonylamino]-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]benzamide Openeye Name: 4-[(2-methylcyclopropanecarbonyl)amino]-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]benzamide CAS Name: 4-[[(2-methylcyclopropyl)-oxomethyl]amino]-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]benzamide IUPAC Name: 4-[(2-methylcyclopropanecarbonyl)amino]-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]benzamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C(=O)NC2=CC=C(C=C2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

CC1CC1C(=O)NC2=CC=C(C=C2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C21H23N5O3/c1-13-10-17(13)21(29)24-15-4-2-14(3-5-15)20(28)25-16-6-7-18(23-11-16)26-9-8-22-19(27)12-26/h2-7,11,13,17H,8-10,12H2,1H3,(H,22,27)(H,24,29)(H,25,28)