N-(4-azanylcyclohexyl)-3-[(3-fluorophenyl)carbonylamino]-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(3-fluorophenyl)carbonylamino]-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(3-fluorobenzoyl)amino]-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(3-fluorophenyl)-oxomethyl]amino]-4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(3-fluorobenzoyl)amino]-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-[(3-fluorobenzoyl)amino]-4-(4-nicotinoylpiperazino)benzamide Formula: C30H33FN6O3 MolecularWeight: 544.619823

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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)C5=CC(=CC=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C30H33FN6O3/c31-23-5-1-3-20(17-23)29(39)35-26-18-21(28(38)34-25-9-7-24(32)8-10-25)6-11-27(26)36-13-15-37(16-14-36)30(40)22-4-2-12-33-19-22/h1-6,11-12,17-19,24-25H,7-10,13-16,32H2,(H,34,38)(H,35,39)