1-[4-[2,6-dimethyl-4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]ethyl butanoate

Systemtic Name: 1-[4-[2,6-dimethyl-4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]ethyl butanoate Openeye Name: 1-[4-(4-benzyl-2,6-dimethyl-piperazin-1-yl)pyrimidin-2-yl]ethyl butanoate CAS Name: butanoic acid 1-[4-[2,6-dimethyl-4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]ethyl ester IUPAC Name: 1-[4-(4-benzyl-2,6-dimethylpiperazin-1-yl)pyrimidin-2-yl]ethyl butanoate Traditional Name: butyric acid 1-[4-(4-benzyl-2,6-dimethyl-piperazino)pyrimidin-2-yl]ethyl ester Formula: C23H32N4O2 MolecularWeight: 396.52578

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C)C1=NC=CC(=N1)N2C(CN(CC2C)CC3=CC=CC=C3)C

Isomeric SMILES

CCCC(=O)OC(C)C1=NC=CC(=N1)N2C(CN(CC2C)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H32N4O2/c1-5-9-22(28)29-19(4)23-24-13-12-21(25-23)27-17(2)14-26(15-18(27)3)16-20-10-7-6-8-11-20/h6-8,10-13,17-19H,5,9,14-16H2,1-4H3