N-(2-azanylcyclohexyl)-3-(3-cyclopentylpropanoylamino)-4-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl]benzamide

Systemtic Name: N-(2-azanylcyclohexyl)-3-(3-cyclopentylpropanoylamino)-4-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl]benzamide Openeye Name: N-(2-aminocyclohexyl)-3-(3-cyclopentylpropanoylamino)-4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzamide CAS Name: N-(2-aminocyclohexyl)-3-[(3-cyclopentyl-1-oxopropyl)amino]-4-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methyl]benzamide IUPAC Name: N-(2-aminocyclohexyl)-3-(3-cyclopentylpropanoylamino)-4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzamide Traditional Name: N-(2-aminocyclohexyl)-3-(3-cyclopentylpropanoylamino)-4-[[4-(2-furoyl)piperazino]methyl]benzamide Formula: C31H43N5O4 MolecularWeight: 549.70422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)NC2=C(C=CC(=C2)C(=O)NC3CCCCC3N)CN4CCN(CC4)C(=O)C5=CC=CO5

Isomeric SMILES

C1CCC(C1)CCC(=O)NC2=C(C=CC(=C2)C(=O)NC3CCCCC3N)CN4CCN(CC4)C(=O)C5=CC=CO5

InChI

InChI=1S/C31H43N5O4/c32-25-8-3-4-9-26(25)34-30(38)23-12-13-24(27(20-23)33-29(37)14-11-22-6-1-2-7-22)21-35-15-17-36(18-16-35)31(39)28-10-5-19-40-28/h5,10,12-13,19-20,22,25-26H,1-4,6-9,11,14-18,21,32H2,(H,33,37)(H,34,38)