2-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one Openeye Name: 5-isopentyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one IUPAC Name: 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one Traditional Name: 5-isoamyl-6-methyl-2-(4-p-anisoylpiperazino)-1H-pyrimidin-4-one Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)OC)CCC(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)OC)CCC(C)C

InChI

InChI=1S/C22H30N4O3/c1-15(2)5-10-19-16(3)23-22(24-20(19)27)26-13-11-25(12-14-26)21(28)17-6-8-18(29-4)9-7-17/h6-9,15H,5,10-14H2,1-4H3,(H,23,24,27)