cyclobutyl-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: cyclobutyl-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: cyclobutyl-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: cyclobutyl-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: cyclobutyl-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: cyclobutyl-[4-[2,6-dimethyl-5-(4-nitrobenzyl)pyrimidin-4-yl]piperazino]methanone Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3CCC3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3CCC3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O3/c1-15-20(14-17-6-8-19(9-7-17)27(29)30)21(24-16(2)23-15)25-10-12-26(13-11-25)22(28)18-4-3-5-18/h6-9,18H,3-5,10-14H2,1-2H3