N-(4-azanylcyclohexyl)-3-(2-phenylethanoylamino)-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-(2-phenylethanoylamino)-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(2-phenylacetyl)amino]-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[(1-oxo-2-phenylethyl)amino]-4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(2-phenylacetyl)amino]-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-(4-nicotinoylpiperazino)-3-[(2-phenylacetyl)amino]benzamide Formula: C31H36N6O3 MolecularWeight: 540.65594

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CN=CC=C4)NC(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CN=CC=C4)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C31H36N6O3/c32-25-9-11-26(12-10-25)34-30(39)23-8-13-28(27(20-23)35-29(38)19-22-5-2-1-3-6-22)36-15-17-37(18-16-36)31(40)24-7-4-14-33-21-24/h1-8,13-14,20-21,25-26H,9-12,15-19,32H2,(H,34,39)(H,35,38)