6-butyl-2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-butyl-2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-butyl-2-[4-[(3-methoxy-1-piperidyl)methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-butyl-2-[4-[(3-methoxy-1-piperidinyl)methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-butyl-2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-butyl-2-[4-[(3-methoxypiperidino)methyl]phenyl]-1H-pyrimidin-4-one Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)CN3CCCC(C3)OC

Isomeric SMILES

CCCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)CN3CCCC(C3)OC

InChI

InChI=1S/C21H29N3O2/c1-3-4-6-18-13-20(25)23-21(22-18)17-10-8-16(9-11-17)14-24-12-5-7-19(15-24)26-2/h8-11,13,19H,3-7,12,14-15H2,1-2H3,(H,22,23,25)