2-ethyl-1-[4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]butan-1-one

Systemtic Name: 2-ethyl-1-[4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]butan-1-one Openeye Name: 2-ethyl-1-[4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]butan-1-one CAS Name: 2-ethyl-1-[4-[4-(4-phenoxyphenyl)-2-pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 2-ethyl-1-[4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]butan-1-one Traditional Name: 2-ethyl-1-[4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazino]butan-1-one Formula: C26H30N4O2 MolecularWeight: 430.542

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCN(CC1)C2=NC=CC(=N2)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCC(CC)C(=O)N1CCN(CC1)C2=NC=CC(=N2)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O2/c1-3-20(4-2)25(31)29-16-18-30(19-17-29)26-27-15-14-24(28-26)21-10-12-23(13-11-21)32-22-8-6-5-7-9-22/h5-15,20H,3-4,16-19H2,1-2H3