[4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-naphthalen-2-yl-methanone

Systemtic Name: [4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-naphthalen-2-yl-methanone Openeye Name: [4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-(2-naphthyl)methanone CAS Name: [4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-4-pyrimidinyl]-1-piperazinyl]-(2-naphthalenyl)methanone IUPAC Name: [4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl]piperazin-1-yl]-naphthalen-2-ylmethanone Traditional Name: [4-[5-(4-chlorobenzyl)-6-ethyl-2-methyl-pyrimidin-4-yl]piperazino]-(2-naphthyl)methanone Formula: C29H29ClN4O MolecularWeight: 485.01976

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H29ClN4O/c1-3-27-26(18-21-8-12-25(30)13-9-21)28(32-20(2)31-27)33-14-16-34(17-15-33)29(35)24-11-10-22-6-4-5-7-23(22)19-24/h4-13,19H,3,14-18H2,1-2H3