3-[3-[4-isocyano-4-(2-methylphenyl)piperidin-1-yl]propyl]-5-methyl-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 3-[3-[4-isocyano-4-(2-methylphenyl)piperidin-1-yl]propyl]-5-methyl-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 1-benzyl-3-[3-[4-isocyano-4-(o-tolyl)-1-piperidyl]propyl]-5-methyl-pyrimidine-2,4-dione CAS Name: 3-[3-[4-isocyano-4-(2-methylphenyl)-1-piperidinyl]propyl]-5-methyl-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 1-benzyl-3-[3-[4-isocyano-4-(2-methylphenyl)piperidin-1-yl]propyl]-5-methylpyrimidine-2,4-dione Traditional Name: 1-benzyl-3-[3-[4-isocyano-4-(o-tolyl)piperidino]propyl]-5-methyl-pyrimidine-2,4-quinone Formula: C28H32N4O2 MolecularWeight: 456.57928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2(CCN(CC2)CCCN3C(=O)C(=CN(C3=O)CC4=CC=CC=C4)C)[N+]#[C-]

Isomeric SMILES

CC1=CC=CC=C1C2(CCN(CC2)CCCN3C(=O)C(=CN(C3=O)CC4=CC=CC=C4)C)[N+]#[C-]

InChI

InChI=1S/C28H32N4O2/c1-22-10-7-8-13-25(22)28(29-3)14-18-30(19-15-28)16-9-17-32-26(33)23(2)20-31(27(32)34)21-24-11-5-4-6-12-24/h4-8,10-13,20H,9,14-19,21H2,1-2H3