3-cyclopentyl-1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-cyclopentyl-1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one Openeye Name: 3-cyclopentyl-1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one CAS Name: 3-cyclopentyl-1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-cyclopentyl-1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one Traditional Name: 3-cyclopentyl-1-[4-[2,6-dimethyl-5-(4-nitrobenzyl)pyrimidin-4-yl]piperazino]propan-1-one Formula: C25H33N5O3 MolecularWeight: 451.56122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)CCC3CCCC3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)CCC3CCCC3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H33N5O3/c1-18-23(17-21-7-10-22(11-8-21)30(32)33)25(27-19(2)26-18)29-15-13-28(14-16-29)24(31)12-9-20-5-3-4-6-20/h7-8,10-11,20H,3-6,9,12-17H2,1-2H3