1-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]carbonyl-4-oxaspiro[4.5]decan-3-one

Systemtic Name: 1-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]carbonyl-4-oxaspiro[4.5]decan-3-one Openeye Name: 1-[3-[2-methyl-5-(m-tolyl)pyrimidin-4-yl]piperidine-1-carbonyl]-4-oxaspiro[4.5]decan-3-one CAS Name: 1-[[3-[2-methyl-5-(3-methylphenyl)-4-pyrimidinyl]-1-piperidinyl]-oxomethyl]-4-oxaspiro[4.5]decan-3-one IUPAC Name: 1-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidine-1-carbonyl]-4-oxaspiro[4.5]decan-3-one Traditional Name: 1-[3-[2-methyl-5-(m-tolyl)pyrimidin-4-yl]piperidine-1-carbonyl]-4-oxaspiro[4.5]decan-3-one Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CN=C(N=C2C3CCCN(C3)C(=O)C4CC(=O)OC45CCCCC5)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=CN=C(N=C2C3CCCN(C3)C(=O)C4CC(=O)OC45CCCCC5)C

InChI

InChI=1S/C27H33N3O3/c1-18-8-6-9-20(14-18)22-16-28-19(2)29-25(22)21-10-7-13-30(17-21)26(32)23-15-24(31)33-27(23)11-4-3-5-12-27/h6,8-9,14,16,21,23H,3-5,7,10-13,15,17H2,1-2H3