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

Systemtic Name: N-(2-azanylcyclohexyl)-3-benzamido-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide Openeye Name: N-(2-aminocyclohexyl)-3-benzamido-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide CAS Name: N-(2-aminocyclohexyl)-3-benzamido-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzamide IUPAC Name: N-(2-aminocyclohexyl)-3-benzamido-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide Traditional Name: N-(2-aminocyclohexyl)-3-benzamido-4-[[4-(2-pyrimidyl)piperazino]methyl]benzamide Formula: C29H35N7O2 MolecularWeight: 513.6339

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)NC(=O)C2=CC(=C(C=C2)CN3CCN(CC3)C4=NC=CC=N4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C(C1)N)NC(=O)C2=CC(=C(C=C2)CN3CCN(CC3)C4=NC=CC=N4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H35N7O2/c30-24-9-4-5-10-25(24)33-28(38)22-11-12-23(26(19-22)34-27(37)21-7-2-1-3-8-21)20-35-15-17-36(18-16-35)29-31-13-6-14-32-29/h1-3,6-8,11-14,19,24-25H,4-5,9-10,15-18,20,30H2,(H,33,38)(H,34,37)