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

Systemtic Name: N-(2-azanylcyclohexyl)-3-(3-cyclopentylpropanoylamino)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide Openeye Name: N-(2-aminocyclohexyl)-3-(3-cyclopentylpropanoylamino)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide CAS Name: N-(2-aminocyclohexyl)-3-[(3-cyclopentyl-1-oxopropyl)amino]-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzamide IUPAC Name: N-(2-aminocyclohexyl)-3-(3-cyclopentylpropanoylamino)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide Traditional Name: N-(2-aminocyclohexyl)-3-(3-cyclopentylpropanoylamino)-4-[[4-(2-pyrimidyl)piperazino]methyl]benzamide Formula: C30H43N7O2 MolecularWeight: 533.70812

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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=NC=CC=N5

Isomeric SMILES

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

InChI

InChI=1S/C30H43N7O2/c31-25-8-3-4-9-26(25)35-29(39)23-11-12-24(27(20-23)34-28(38)13-10-22-6-1-2-7-22)21-36-16-18-37(19-17-36)30-32-14-5-15-33-30/h5,11-12,14-15,20,22,25-26H,1-4,6-10,13,16-19,21,31H2,(H,34,38)(H,35,39)