2-[1-[(3-methylphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]-N-(1-pyrimidin-4-ylethyl)ethanamide

Systemtic Name: 2-[1-[(3-methylphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]-N-(1-pyrimidin-4-ylethyl)ethanamide Openeye Name: 2-[1-(m-tolylmethyl)-3-oxo-piperazin-2-yl]-N-(1-pyrimidin-4-ylethyl)acetamide CAS Name: 2-[1-[(3-methylphenyl)methyl]-3-oxo-2-piperazinyl]-N-[1-(4-pyrimidinyl)ethyl]acetamide IUPAC Name: 2-[1-[(3-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-pyrimidin-4-ylethyl)acetamide Traditional Name: 2-[3-keto-1-(3-methylbenzyl)piperazin-2-yl]-N-[1-(4-pyrimidyl)ethyl]acetamide Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCNC(=O)C2CC(=O)NC(C)C3=NC=NC=C3

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCNC(=O)C2CC(=O)NC(C)C3=NC=NC=C3

InChI

InChI=1S/C20H25N5O2/c1-14-4-3-5-16(10-14)12-25-9-8-22-20(27)18(25)11-19(26)24-15(2)17-6-7-21-13-23-17/h3-7,10,13,15,18H,8-9,11-12H2,1-2H3,(H,22,27)(H,24,26)