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

Systemtic Name: 2-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-1-phenyl-ethanol Openeye Name: 2-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-1-phenyl-ethanol CAS Name: 2-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]-1-phenylethanol IUPAC Name: 2-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-1-phenylethanol Traditional Name: 2-[4-[2,6-dimethyl-5-(4-nitrobenzyl)pyrimidin-4-yl]piperazino]-1-phenyl-ethanol Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)CC(C3=CC=CC=C3)O)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)CC(C3=CC=CC=C3)O)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H29N5O3/c1-18-23(16-20-8-10-22(11-9-20)30(32)33)25(27-19(2)26-18)29-14-12-28(13-15-29)17-24(31)21-6-4-3-5-7-21/h3-11,24,31H,12-17H2,1-2H3