N-[[4-[[4-(2-chloranylpyrimidin-4-yl)piperazin-1-yl]methyl]phenyl]methyl]ethanamide

Systemtic Name: N-[[4-[[4-(2-chloranylpyrimidin-4-yl)piperazin-1-yl]methyl]phenyl]methyl]ethanamide Openeye Name: N-[[4-[[4-(2-chloropyrimidin-4-yl)piperazin-1-yl]methyl]phenyl]methyl]acetamide CAS Name: N-[[4-[[4-(2-chloro-4-pyrimidinyl)-1-piperazinyl]methyl]phenyl]methyl]acetamide IUPAC Name: N-[[4-[[4-(2-chloropyrimidin-4-yl)piperazin-1-yl]methyl]phenyl]methyl]acetamide Traditional Name: N-[4-[[4-(2-chloropyrimidin-4-yl)piperazino]methyl]benzyl]acetamide Formula: C18H22ClN5O MolecularWeight: 359.85318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)CN2CCN(CC2)C3=NC(=NC=C3)Cl

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)CN2CCN(CC2)C3=NC(=NC=C3)Cl

InChI

InChI=1S/C18H22ClN5O/c1-14(25)21-12-15-2-4-16(5-3-15)13-23-8-10-24(11-9-23)17-6-7-20-18(19)22-17/h2-7H,8-13H2,1H3,(H,21,25)