1-adamantyl-[4-[6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-[6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-[5-benzyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-[5-benzyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-[5-benzyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]methanone Formula: C34H40N4O MolecularWeight: 520.7076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5)CC7=CC=CC=C7)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5)CC7=CC=CC=C7)C

InChI

InChI=1S/C34H40N4O/c1-23-7-6-10-29(15-23)31-35-24(2)30(19-25-8-4-3-5-9-25)32(36-31)37-11-13-38(14-12-37)33(39)34-20-26-16-27(21-34)18-28(17-26)22-34/h3-10,15,26-28H,11-14,16-22H2,1-2H3