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

Systemtic Name: cyclobutyl-[4-[6-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: cyclobutyl-[4-[6-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: cyclobutyl-[4-[6-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: cyclobutyl-[4-[6-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: cyclobutyl-[4-[6-(methoxymethyl)-2-methyl-5-(4-nitrobenzyl)pyrimidin-4-yl]piperazino]methanone Formula: C23H29N5O4 MolecularWeight: 439.50746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O4/c1-16-24-21(15-32-2)20(14-17-6-8-19(9-7-17)28(30)31)22(25-16)26-10-12-27(13-11-26)23(29)18-4-3-5-18/h6-9,18H,3-5,10-15H2,1-2H3