N-(2-azanylcyclohexyl)-3-(3-cyclopentylpropanoylamino)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-(2-azanylcyclohexyl)-3-(3-cyclopentylpropanoylamino)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]benzamide Openeye Name: N-(2-aminocyclohexyl)-3-(3-cyclopentylpropanoylamino)-4-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzamide CAS Name: N-(2-aminocyclohexyl)-3-[(3-cyclopentyl-1-oxopropyl)amino]-4-[[4-(2-pyridinyl)-1-piperazinyl]methyl]benzamide IUPAC Name: N-(2-aminocyclohexyl)-3-(3-cyclopentylpropanoylamino)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]benzamide Traditional Name: N-(2-aminocyclohexyl)-3-(3-cyclopentylpropanoylamino)-4-[[4-(2-pyridyl)piperazino]methyl]benzamide Formula: C31H44N6O2 MolecularWeight: 532.72006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)NC2=C(C=CC(=C2)C(=O)NC3CCCCC3N)CN4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

C1CCC(C1)CCC(=O)NC2=C(C=CC(=C2)C(=O)NC3CCCCC3N)CN4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C31H44N6O2/c32-26-9-3-4-10-27(26)35-31(39)24-13-14-25(28(21-24)34-30(38)15-12-23-7-1-2-8-23)22-36-17-19-37(20-18-36)29-11-5-6-16-33-29/h5-6,11,13-14,16,21,23,26-27H,1-4,7-10,12,15,17-20,22,32H2,(H,34,38)(H,35,39)