2-[4-(4-ethanoylpiperazin-1-yl)-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-2-yl]ethanenitrile

Systemtic Name: 2-[4-(4-ethanoylpiperazin-1-yl)-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-2-yl]ethanenitrile Openeye Name: 2-[4-(4-acetylpiperazin-1-yl)-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-2-yl]acetonitrile CAS Name: 2-[4-(4-acetyl-1-piperazinyl)-6-methyl-5-[(4-nitrophenyl)methyl]-2-pyrimidinyl]acetonitrile IUPAC Name: 2-[4-(4-acetylpiperazin-1-yl)-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-2-yl]acetonitrile Traditional Name: 2-[4-(4-acetylpiperazino)-6-methyl-5-(4-nitrobenzyl)pyrimidin-2-yl]acetonitrile Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)CC#N)N2CCN(CC2)C(=O)C)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)CC#N)N2CCN(CC2)C(=O)C)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O3/c1-14-18(13-16-3-5-17(6-4-16)26(28)29)20(23-19(22-14)7-8-21)25-11-9-24(10-12-25)15(2)27/h3-6H,7,9-13H2,1-2H3