3-acetamido-N-[[4-(aminomethyl)phenyl]methyl]-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide

Systemtic Name: 3-acetamido-N-[[4-(aminomethyl)phenyl]methyl]-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide Openeye Name: 3-acetamido-N-[[4-(aminomethyl)phenyl]methyl]-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide CAS Name: 3-acetamido-N-[[4-(aminomethyl)phenyl]methyl]-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzamide IUPAC Name: 3-acetamido-N-[[4-(aminomethyl)phenyl]methyl]-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide Traditional Name: 3-acetamido-N-[4-(aminomethyl)benzyl]-4-[[4-(2-pyrimidyl)piperazino]methyl]benzamide Formula: C26H31N7O2 MolecularWeight: 473.57004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)CN)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)CN)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C26H31N7O2/c1-19(34)31-24-15-22(25(35)30-17-21-5-3-20(16-27)4-6-21)7-8-23(24)18-32-11-13-33(14-12-32)26-28-9-2-10-29-26/h2-10,15H,11-14,16-18,27H2,1H3,(H,30,35)(H,31,34)