3-acetamido-N-(4-azanylcyclohexyl)-4-[4-(6-chloranylpyridin-3-yl)carbonylpiperazin-1-yl]benzamide

Systemtic Name: 3-acetamido-N-(4-azanylcyclohexyl)-4-[4-(6-chloranylpyridin-3-yl)carbonylpiperazin-1-yl]benzamide Openeye Name: 3-acetamido-N-(4-aminocyclohexyl)-4-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]benzamide CAS Name: 3-acetamido-N-(4-aminocyclohexyl)-4-[4-[(6-chloro-3-pyridinyl)-oxomethyl]-1-piperazinyl]benzamide IUPAC Name: 3-acetamido-N-(4-aminocyclohexyl)-4-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]benzamide Traditional Name: 3-acetamido-N-(4-aminocyclohexyl)-4-[4-(6-chloronicotinoyl)piperazino]benzamide Formula: C25H31ClN6O3 MolecularWeight: 499.00504

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)N)N3CCN(CC3)C(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)N)N3CCN(CC3)C(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C25H31ClN6O3/c1-16(33)29-21-14-17(24(34)30-20-6-4-19(27)5-7-20)2-8-22(21)31-10-12-32(13-11-31)25(35)18-3-9-23(26)28-15-18/h2-3,8-9,14-15,19-20H,4-7,10-13,27H2,1H3,(H,29,33)(H,30,34)