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

Systemtic Name: [4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-naphthalen-2-yl-methanone Openeye Name: [4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-(2-naphthyl)methanone CAS Name: [4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]-(2-naphthalenyl)methanone IUPAC Name: [4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-naphthalen-2-ylmethanone Traditional Name: [4-[2,6-dimethyl-5-(4-nitrobenzyl)pyrimidin-4-yl]piperazino]-(2-naphthyl)methanone Formula: C28H27N5O3 MolecularWeight: 481.54568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H27N5O3/c1-19-26(17-21-7-11-25(12-8-21)33(35)36)27(30-20(2)29-19)31-13-15-32(16-14-31)28(34)24-10-9-22-5-3-4-6-23(22)18-24/h3-12,18H,13-17H2,1-2H3