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

Systemtic Name: 2-[4-methyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-5-[(4-nitrophenyl)methyl]pyrimidin-2-yl]ethanenitrile Openeye Name: 2-[4-methyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-5-[(4-nitrophenyl)methyl]pyrimidin-2-yl]acetonitrile CAS Name: 2-[4-methyl-6-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-5-[(4-nitrophenyl)methyl]-2-pyrimidinyl]acetonitrile IUPAC Name: 2-[4-methyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-5-[(4-nitrophenyl)methyl]pyrimidin-2-yl]acetonitrile Traditional Name: 2-[4-(4-isobutyrylpiperazino)-6-methyl-5-(4-nitrobenzyl)pyrimidin-2-yl]acetonitrile Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O3/c1-15(2)22(29)27-12-10-26(11-13-27)21-19(16(3)24-20(25-21)8-9-23)14-17-4-6-18(7-5-17)28(30)31/h4-7,15H,8,10-14H2,1-3H3