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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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